2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid

C14H16N2O4 — CID 63749129

IUPAC2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1ccc2cc[nH]c2c1)C(=O)O
InChIInChI=1S/C14H16N2O4/c1-20-7-5-11(14(18)19)16-13(17)10-3-2-9-4-6-15-12(9)8-10/h2-4,6,8,11,15H,5,7H2,1H3,(H,16,17)(H,18,19)
InChIKeySLTGPKZJNNWYEU-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.39
Rot. Bonds6

About 2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid

2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid (PubChem CID 63749129) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid
PubChem CID63749129
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1ccc2cc[nH]c2c1)C(=O)O
InChIInChI=1S/C14H16N2O4/c1-20-7-5-11(14(18)19)16-13(17)10-3-2-9-4-6-15-12(9)8-10/h2-4,6,8,11,15H,5,7H2,1H3,(H,16,17)(H,18,19)
InChIKeySLTGPKZJNNWYEU-UHFFFAOYSA-N
XLogP1.39
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630
(2S)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 55230988
(2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 80750330
3-heptan-4-ylsulfonyl-2-(1H-indole-6-carbonylamino)propanoic acid;hydrochloride
CID 69320690
2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 62478213
(2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid
CID 63748597
2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702074
methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate
CID 101108438
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
CID 62478568
N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide
CID 103877617
methyl (2R,3R)-2-(1H-indole-6-carbonylamino)-3-methylpentanoate
CID 95357359

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid?
The IUPAC name of 2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid (CID 63749129) is 2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid.
What is the SMILES notation for 2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid?
The canonical SMILES for 2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid is COCCC(NC(=O)c1ccc2cc[nH]c2c1)C(=O)O.
What is the InChIKey of 2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid?
The InChIKey is SLTGPKZJNNWYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-20-7-5-11(14(18)19)16-13(17)10-3-2-9-4-6-15-12(9)8-10/h2-4,6,8,11,15H,5,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid?
2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid has a molecular weight of 276.29 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid is sourced from PubChem (CID 63749129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).