3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid

C16H20N2O3 — CID 81066281

IUPAC3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1c(C)[nH]c2ccccc12)CC(=O)O
InChIInChI=1S/C16H20N2O3/c1-3-11(8-14(19)20)9-17-16(21)15-10(2)18-13-7-5-4-6-12(13)15/h4-7,11,18H,3,8-9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyARONQLIKORUOMT-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.71
Rot. Bonds6

About 3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid

3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid (PubChem CID 81066281) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid
PubChem CID81066281
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1c(C)[nH]c2ccccc12)CC(=O)O
InChIInChI=1S/C16H20N2O3/c1-3-11(8-14(19)20)9-17-16(21)15-10(2)18-13-7-5-4-6-12(13)15/h4-7,11,18H,3,8-9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyARONQLIKORUOMT-UHFFFAOYSA-N
XLogP2.71
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic 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

3-methyl-4-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid
CID 81063960
2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid
CID 106107981
3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid
CID 81066303
3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065631
3-[[(3-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 81064139
5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid
CID 82845531
N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide
CID 111825055
N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide
CID 110001950
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide
CID 47438912
2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid
CID 63930965
N-(cyclopropylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 34829550

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid (CID 81066281) is 3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid is CCC(CNC(=O)c1c(C)[nH]c2ccccc12)CC(=O)O.
What is the InChIKey of 3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is ARONQLIKORUOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-11(8-14(19)20)9-17-16(21)15-10(2)18-13-7-5-4-6-12(13)15/h4-7,11,18H,3,8-9H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid?
3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 288.35 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81066281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).