5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid

C16H20N2O3 — CID 82845531

IUPAC5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid
SMILESCc1[nH]c2ccccc2c1C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C16H20N2O3/c1-10(6-5-9-14(19)20)17-16(21)15-11(2)18-13-8-4-3-7-12(13)15/h3-4,7-8,10,18H,5-6,9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyDBIGQUVRDMTOQV-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.85
Rot. Bonds6

About 5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid

5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid (PubChem CID 82845531) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid
PubChem CID82845531
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid
SMILESCc1[nH]c2ccccc2c1C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C16H20N2O3/c1-10(6-5-9-14(19)20)17-16(21)15-11(2)18-13-8-4-3-7-12(13)15/h3-4,7-8,10,18H,5-6,9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyDBIGQUVRDMTOQV-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid
CID 81063960
N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide
CID 110001950
5-(methylamino)-5-(2-methyl-1H-indol-3-yl)pentanoic acid
CID 116953123
(E)-6-(2-methyl-1H-indol-3-yl)hept-5-enoic acid
CID 82299974
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
5-[(2,6-difluorobenzoyl)amino]hexanoic acid
CID 82854153
3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid
CID 81066281
2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid
CID 63930965
3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]propanoic acid
CID 98017040
3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 26682279
3-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 26682281
5-[(3-methyl-1-benzofuran-2-carbonyl)amino]hexanoic acid
CID 82845342

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid (CID 82845531) is 5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid is Cc1[nH]c2ccccc2c1C(=O)NC(C)CCCC(=O)O.
What is the InChIKey of 5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid?
The InChIKey is DBIGQUVRDMTOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(6-5-9-14(19)20)17-16(21)15-11(2)18-13-8-4-3-7-12(13)15/h3-4,7-8,10,18H,5-6,9H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid?
5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid has a molecular weight of 288.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 82845531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).