Molecule

1H-Indole-3-acetic acid; Amide

AlkaPlorer ID: AK001106

Synonym: 1H-Indole-3-acetamide

IUPAC Name: 2-(1H-indol-3-yl)acetamide

SMILES: N=C(O)CC1=CNC2=CC=CC=C12

InChI: InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)

InChIKey: ZOAMBXDOGPRZLP-UHFFFAOYSA-N

PubChem CID: 397

CAS: 879-37-8

LOTUS: LTS0200504

NPASS: NPC110223

COCONUT: CNP0131710

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NPAtlas: NPA009584

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Dysidea etheria	Dysidea	Dysideidae	Dictyoceratida	Demospongiae	Porifera	Metazoa	Eukaryota
Pycnarrhena ozantha	Pycnarrhena	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Anabaena cylindrica	Anabaena	Nostocaceae	Nostocales	Cyanophyceae	Cyanobacteriota	None	Bacteria
Olea europaea	Olea	Oleaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Peltigera dolichorrhiza	Peltigera	Peltigeraceae	Peltigerales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Persea lingue	Persea	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pseudomonas savastanoi	Pseudomonas	Pseudomonadaceae	Pseudomonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Swartschewskia papyracea	Swartschewskia	Lubomirskiidae	Spongillida	Demospongiae	Porifera	Metazoa	Eukaryota
Chlorobaculum tepidum	Chlorobaculum	Chlorobiaceae	Chlorobiales	Chlorobiia	Chlorobiota	None	Bacteria
None	Ulosa	Dictyonellidae	Bubarida	Demospongiae	Porifera	Metazoa	Eukaryota
Chamaebatia foliolosa	Chamaebatia	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 174.203

TPSA？: 59.87

MolLogP？: 2.24567

Number of H-Donors: 3

Number of H-Acceptors: 1

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT015649	N#CCc1c[nH]c2ccccc12>>NC(=O)Cc1c[nH]c2ccccc12	RXN-7567
AKRT016988	NC(=O)Cc1c[nH]c2ccccc12>>O=C(O)Cc1c[nH]c2ccccc12	RXNN-404
AKRT019786	N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>NC(=O)Cc1c[nH]c2ccccc12	TRYPTOPHAN-2-MONOOXYGENASE-RXN
AKRT019787	N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>NC(=O)Cc1c[nH]c2ccccc12.O=C=O	None