2-(5-amino-1H-indol-3-yl)acetic acid

C10H10N2O2 — CID 24974925

IUPAC2-(5-amino-1H-indol-3-yl)acetic acid
SMILESNc1ccc2[nH]cc(CC(=O)O)c2c1
InChIInChI=1S/C10H10N2O2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3,11H2,(H,13,14)
InChIKeyMHMDBXMBVLWDLQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.38
Rot. Bonds2

About 2-(5-amino-1H-indol-3-yl)acetic acid

2-(5-amino-1H-indol-3-yl)acetic acid (PubChem CID 24974925) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(5-amino-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-amino-1H-indol-3-yl)acetic acid
PubChem CID24974925
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(5-amino-1H-indol-3-yl)acetic acid
SMILESNc1ccc2[nH]cc(CC(=O)O)c2c1
InChIInChI=1S/C10H10N2O2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3,11H2,(H,13,14)
InChIKeyMHMDBXMBVLWDLQ-UHFFFAOYSA-N
XLogP1.38
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(5-amino-1H-indol-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 131953217
2-[5-(3,5-dimethylphenyl)-1H-indol-3-yl]acetic acid
CID 95483214
methyl 2-amino-3-(5-amino-1H-indol-3-yl)propanoate
CID 22669210
2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 22485718
ethyl 2-amino-3-(5-amino-1H-indol-3-yl)propanoate
CID 10890233
3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride
CID 174431068
5-amino-1H-indole-3-carboxylate
CID 36690512
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
2-(5-bromo-1H-indol-3-yl)acetic acid;2-(5-bromo-1H-indol-3-yl)-2-oxoacetic acid
CID 161121014
2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid
CID 71186806
2-(5-amino-1H-indol-3-yl)butanoic acid
CID 57352783
2-[(5-amino-1H-indol-3-yl)methoxy]phenol
CID 117175069

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(5-amino-1H-indol-3-yl)acetic acid (CID 24974925) is 2-(5-amino-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-amino-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(5-amino-1H-indol-3-yl)acetic acid is Nc1ccc2[nH]cc(CC(=O)O)c2c1.
What is the InChIKey of 2-(5-amino-1H-indol-3-yl)acetic acid?
The InChIKey is MHMDBXMBVLWDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3,11H2,(H,13,14).
What are the key properties of 2-(5-amino-1H-indol-3-yl)acetic acid?
2-(5-amino-1H-indol-3-yl)acetic acid has a molecular weight of 190.20 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 24974925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).