3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid

C12H11ClN2O3 — CID 75417841

IUPAC3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C12H11ClN2O3/c13-8-2-1-7-5-10(15-9(7)6-8)12(18)14-4-3-11(16)17/h1-2,5-6,15H,3-4H2,(H,14,18)(H,16,17)
InChIKeyFHHIVQKMEVHZFF-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.03
Rot. Bonds4

About 3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid

3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid (PubChem CID 75417841) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid
PubChem CID75417841
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C12H11ClN2O3/c13-8-2-1-7-5-10(15-9(7)6-8)12(18)14-4-3-11(16)17/h1-2,5-6,15H,3-4H2,(H,14,18)(H,16,17)
InChIKeyFHHIVQKMEVHZFF-UHFFFAOYSA-N
XLogP2.03
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic 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

6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207554
6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207545
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207539
N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide
CID 34999950
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 113207547
methyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]butanoate
CID 134034219
6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide
CID 112843310
6-chloro-N-[(3-methylpyrrolidin-2-yl)methyl]-1H-indole-2-carboxamide
CID 166262127
6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 166373419
N-(4-bromophenyl)-6-chloro-1H-indole-2-carboxamide
CID 113207573
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid (CID 75417841) is 3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid?
The InChIKey is FHHIVQKMEVHZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c13-8-2-1-7-5-10(15-9(7)6-8)12(18)14-4-3-11(16)17/h1-2,5-6,15H,3-4H2,(H,14,18)(H,16,17).
What are the key properties of 3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid?
3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid has a molecular weight of 266.68 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 75417841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).