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

C16H20N2O3 — CID 162868036

IUPAC4-methyl-2-[(1-methylindole-4-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1cccc2c1ccn2C)C(=O)O
InChIInChI=1S/C16H20N2O3/c1-10(2)9-13(16(20)21)17-15(19)12-5-4-6-14-11(12)7-8-18(14)3/h4-8,10,13H,9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyGBCCWXVRFRZBGX-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.41
Rot. Bonds5

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

4-methyl-2-[(1-methylindole-4-carbonyl)amino]pentanoic acid (PubChem CID 162868036) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-methyl-2-[(1-methylindole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(1-methylindole-4-carbonyl)amino]pentanoic acid
PubChem CID162868036
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-methyl-2-[(1-methylindole-4-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1cccc2c1ccn2C)C(=O)O
InChIInChI=1S/C16H20N2O3/c1-10(2)9-13(16(20)21)17-15(19)12-5-4-6-14-11(12)7-8-18(14)3/h4-8,10,13H,9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyGBCCWXVRFRZBGX-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-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 163043957
4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid
CID 110210359
1-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]indole-4-carboxamide
CID 77083119
2-[(2-chloro-3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 81361459
(2S)-2-[[(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 46930259
3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 43171666
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
(2R)-4-methyl-2-[(2-propan-2-ylsulfanylbenzoyl)amino]pentanoic acid
CID 119363699
4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
CID 4974681
(2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 119363452
(2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid
CID 41119776
(2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid
CID 119363334

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methylindole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(1-methylindole-4-carbonyl)amino]pentanoic acid (CID 162868036) is 4-methyl-2-[(1-methylindole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(1-methylindole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(1-methylindole-4-carbonyl)amino]pentanoic acid is CC(C)CC(NC(=O)c1cccc2c1ccn2C)C(=O)O.
What is the InChIKey of 4-methyl-2-[(1-methylindole-4-carbonyl)amino]pentanoic acid?
The InChIKey is GBCCWXVRFRZBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)9-13(16(20)21)17-15(19)12-5-4-6-14-11(12)7-8-18(14)3/h4-8,10,13H,9H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 4-methyl-2-[(1-methylindole-4-carbonyl)amino]pentanoic acid?
4-methyl-2-[(1-methylindole-4-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-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 162868036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).