4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid

C14H16N2O3 — CID 63749646

IUPAC4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H16N2O3/c1-16(8-2-3-13(17)18)14(19)11-5-4-10-6-7-15-12(10)9-11/h4-7,9,15H,2-3,8H2,1H3,(H,17,18)
InChIKeyNXFZPPQPGZCHLH-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.10
Rot. Bonds5

About 4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid

4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid (PubChem CID 63749646) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid
PubChem CID63749646
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H16N2O3/c1-16(8-2-3-13(17)18)14(19)11-5-4-10-6-7-15-12(10)9-11/h4-7,9,15H,2-3,8H2,1H3,(H,17,18)
InChIKeyNXFZPPQPGZCHLH-UHFFFAOYSA-N
XLogP2.10
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide
CID 114217639
N-butyl-N-methyl-1H-indole-5-carboxamide
CID 63717689
N-methyl-N-(2-phenylmethoxyethyl)-1H-indole-6-carboxamide
CID 166216963
N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide
CID 113231691
N-chloro-N-methyl-1H-indole-6-carboxamide
CID 156761567
4-[1,3-benzodioxole-5-carbonyl(methyl)amino]butanoic acid
CID 43090104
4-[(4-acetylbenzoyl)-methylamino]butanoic acid
CID 119172709
4-[8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-3-carbonyl(methyl)amino]butanoic acid
CID 120513841
4-[(3-chloro-4-iodobenzoyl)-methylamino]butanoic acid
CID 103803012
N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-6-carboxamide
CID 55229836
ethane;1H-indole-6-carboxylic acid
CID 142472960
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 63373207

Frequently Asked Questions

What is the IUPAC name of 4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid (CID 63749646) is 4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of 4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid?
The InChIKey is NXFZPPQPGZCHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16(8-2-3-13(17)18)14(19)11-5-4-10-6-7-15-12(10)9-11/h4-7,9,15H,2-3,8H2,1H3,(H,17,18).
What are the key properties of 4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid?
4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid is sourced from PubChem (CID 63749646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).