Molecule

(1S,2R)-2-[(S)-amino(carboxy)methyl]cyclopropane-1-carboxylic acid

AlkaPlorer ID: AK008569

Synonym: None

IUPAC Name: (1S,2R)-2-[(S)-amino(carboxy)methyl]cyclopropane-1-carboxylic acid

Structure

SMILES: N[C@H](C(=O)O)[C@@H]1C[C@@H]1C(=O)O

InChI: InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3+,4+/m1/s1

InChIKey: GZOVEPYOCJWRFC-UZBSEBFBSA-N

Reference

Four cyclopropane amino acids from Ephedra

PubChem CID: 5310958

LOTUS: LTS0144352

SuperNatural Ⅲ: SN0119570-03

NPASS: NPC188231

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Coryneum modonium	Coryneum	Coryneaceae	Diaporthales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Pteridium caudatum	Pteridium	Dennstaedtiaceae	Polypodiales	Polypodiopsida	Streptophyta	Viridiplantae	Eukaryota
Saccharothrix mutabilis	Saccharothrix	Pseudonocardiaceae	Pseudonocardiales	Actinomycetes	Actinomycetota	None	Bacteria
Nicotiana tabacum	Nicotiana	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Helichrysum cameroonense	Helichrysum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Fuscoporia gilva	Fuscoporia	Hymenochaetaceae	Hymenochaetales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Laminaria ochroleuca	Laminaria	Laminariaceae	Laminariales	Phaeophyceae	None	None	Eukaryota
Beilschmiedia erythrophloia	Beilschmiedia	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Carpinus japonica	Carpinus	Betulaceae	Fagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 159.141

TPSA？: 100.62000000000002

MolLogP？: -0.881

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	4'-phosphopantetheinyl transferase ffp	Potency	89125.1	nM	None
Homo sapiens	Cytochrome P450 1A2	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C19	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C9	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2D6	AC50	nan	None	None
Homo sapiens	Cytochrome P450 3A4	AC50	nan	None	None
Homo sapiens	Lysine-specific demethylase 4D-like	Potency	35481.3	nM	None
Homo sapiens	Menin/Histone-lysine N-methyltransferase MLL	Potency	39810.7	nM	None
Rattus norvegicus	Glutamate NMDA receptor	IC50	5.2	nM	10.1016/0960-894X(96)00436-2
Rattus norvegicus	Glutamate NMDA receptor	IC50	100.0	nM	10.1021/jm00086a004
Rattus norvegicus	Glutamate NMDA receptor	Ki	6.5	nM	10.1021/jm400346a
Rattus norvegicus	Glutamate NMDA receptor	Ki	9.0	nM	10.1021/jm070322e
Rattus norvegicus	Glutamate NMDA receptor; Grin1/Grin2a	EC50	262.0	nM	10.1021/jm400346a
Rattus norvegicus	Glutamate NMDA receptor; Grin1/Grin2a	Ratio	0.99	None	10.1021/jm400346a
Rattus norvegicus	Glutamate NMDA receptor; Grin1/Grin2b	EC50	83.0	nM	10.1021/jm400346a
Rattus norvegicus	Glutamate NMDA receptor; Grin1/Grin2b	Ratio	1.23	None	10.1021/jm400346a
Rattus norvegicus	Glutamate NMDA receptor; Grin1/Grin2c	EC50	110.0	nM	10.1021/jm400346a
Rattus norvegicus	Glutamate NMDA receptor; Grin1/Grin2c	Ratio	0.9	None	10.1021/jm400346a
Rattus norvegicus	Glutamate receptor ionotropic, AMPA	IC50	600.0	nM	10.1016/0960-894X(96)00436-2
Rattus norvegicus	Glutamate receptor ionotropic, kainate	IC50	1600.0	nM	10.1016/0960-894X(96)00436-2
Rattus norvegicus	Glutamate receptor ionotropic, kainate	Relative potency	0.1	None	10.1021/jm9502908
Rattus norvegicus	Ionotropic glutamate receptor NMDA 1/2D	EC50	36.0	nM	10.1021/jm400346a
Rattus norvegicus	Ionotropic glutamate receptor NMDA 1/2D	Ratio	1.11	None	10.1021/jm400346a
Rattus norvegicus	Muscarinic acetylcholine receptor M1	Potency	39.8	nM	None
Rattus norvegicus	Rattus norvegicus	Relative potency	100.0	None	10.1021/jm9502908
None	No relevant target	pKa	2.5	None	10.1021/jm9502908
None	No relevant target	pKa	4.6	None	10.1021/jm9502908
None	No relevant target	pKa	10.0	None	10.1021/jm9502908
None	Unchecked	Ki	310.0	nM	10.1021/jm400346a
None	Unchecked	Ki	1100.0	nM	10.1021/jm400346a