4-methyl-5-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid

C16H22N2O3 — CID 82014555

IUPAC4-methyl-5-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C16H22N2O3/c1-11(7-8-15(19)20)10-17-16(21)18-12(2)9-13-5-3-4-6-14(13)18/h3-6,11-12H,7-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyBAPHKWRSZPTQCH-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.65
Rot. Bonds5

About 4-methyl-5-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid

4-methyl-5-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid (PubChem CID 82014555) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-methyl-5-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid
PubChem CID82014555
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-methyl-5-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C16H22N2O3/c1-11(7-8-15(19)20)10-17-16(21)18-12(2)9-13-5-3-4-6-14(13)18/h3-6,11-12H,7-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyBAPHKWRSZPTQCH-UHFFFAOYSA-N
XLogP2.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 111755095
3-[ethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
CID 61185854
4-[(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
CID 61183225
N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 47333098
(2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 64599026
2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide
CID 108874681
1-(4-carboxy-2-methylbutanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 13105676
3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylpropanoic acid
CID 93299689
4-methyl-5-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid
CID 82014376
N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43146117
5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 82013036
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-5-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid (CID 82014555) is 4-methyl-5-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid is CC(CCC(=O)O)CNC(=O)N1c2ccccc2CC1C.
What is the InChIKey of 4-methyl-5-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid?
The InChIKey is BAPHKWRSZPTQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(7-8-15(19)20)10-17-16(21)18-12(2)9-13-5-3-4-6-14(13)18/h3-6,11-12H,7-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 4-methyl-5-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid?
4-methyl-5-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 82014555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).