4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid

C16H20N2O3 — CID 110210359

IUPAC4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1ccc2ccn(C)c2c1)C(=O)O
InChIInChI=1S/C16H20N2O3/c1-10(2)8-13(16(20)21)17-15(19)12-5-4-11-6-7-18(3)14(11)9-12/h4-7,9-10,13H,8H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyFIKJFBKIACZRMB-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.41
Rot. Bonds5

About 4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid

4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid (PubChem CID 110210359) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid
PubChem CID110210359
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1ccc2ccn(C)c2c1)C(=O)O
InChIInChI=1S/C16H20N2O3/c1-10(2)8-13(16(20)21)17-15(19)12-5-4-11-6-7-18(3)14(11)9-12/h4-7,9-10,13H,8H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyFIKJFBKIACZRMB-UHFFFAOYSA-N
XLogP2.41
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylindole-6-carbonyl)amino]-2-phenylacetic acid
CID 72889894
(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 78975640
(2R)-2-[(3,4-difluorobenzoyl)amino]-4-methylpentanoic acid
CID 42256010
2-[(1-methylindole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 118985862
(2S)-2-(1H-indazole-6-carbonylamino)-4-methylpentanoic acid
CID 61154648
4-methyl-2-[(1-methylindole-4-carbonyl)amino]pentanoic acid
CID 162868036
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 107674632
(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
CID 119364336
(2R)-2-[(4-aminobenzoyl)amino]-4-methylpentanoic acid
CID 78975427
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid (CID 110210359) is 4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid is CC(C)CC(NC(=O)c1ccc2ccn(C)c2c1)C(=O)O.
What is the InChIKey of 4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid?
The InChIKey is FIKJFBKIACZRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)8-13(16(20)21)17-15(19)12-5-4-11-6-7-18(3)14(11)9-12/h4-7,9-10,13H,8H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid?
4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid has a molecular weight of 288.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 110210359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).