β-N-methylamino-L-alanine

AlkaPlorer ID: AK002269

Synonym: None

IUPAC Name: (2S)-2-amino-3-(methylamino)propanoic acid

Structure

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

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InChI: InChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1

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InChIKey: UJVHVMNGOZXSOZ-VKHMYHEASA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Nostoc sp. Nostoc Nostocaceae Nostocales Cyanophyceae Cyanobacteriota None Bacteria

Properties Information

Molecule Weight: 118.13599999999998

TPSA: 75.35

MolLogP: -1.382299999999999

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Rattus norvegicus Amino acid transporter Inhibition 25.0 % None
None Unchecked krel 1.0 None 10.1016/s0960-894x(98)00164-4

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT010697 CNCC(=O)C(=O)O>>CNC[C@H](N)C(=O)O RXN-21301
AKRT010758 CNC[C@H](NC(=O)O)C(=O)O>>CNC[C@H](N)C(=O)O RXN-21302
AKRT014662 C[SAH].NC[C@H](N)C(=O)O>>CNC[C@H](N)C(=O)O RXN-21300