2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid

C13H14N2O4 — CID 107831836

IUPAC2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid
SMILESO=C(NCCC(O)C(=O)O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H14N2O4/c16-11(13(18)19)5-6-14-12(17)9-7-15-10-4-2-1-3-8(9)10/h1-4,7,11,15-16H,5-6H2,(H,14,17)(H,18,19)
InChIKeyAYMGZDSGEDZOMK-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.73
Rot. Bonds5

About 2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid

2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid (PubChem CID 107831836) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid
PubChem CID107831836
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid
SMILESO=C(NCCC(O)C(=O)O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H14N2O4/c16-11(13(18)19)5-6-14-12(17)9-7-15-10-4-2-1-3-8(9)10/h1-4,7,11,15-16H,5-6H2,(H,14,17)(H,18,19)
InChIKeyAYMGZDSGEDZOMK-UHFFFAOYSA-N
XLogP0.73
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide
CID 115729499
2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid
CID 107832638
N-(2-phenoxyethyl)-1H-indole-3-carboxamide
CID 17447492
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799
4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832377
N-[2-(4-hydroxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 61017782
N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide
CID 66109223
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide
CID 42581260
N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide
CID 84541178
N-(2-cyclopentylethyl)-1H-indole-3-carboxamide
CID 47267271
N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide
CID 64540806

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid?
The IUPAC name of 2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid (CID 107831836) is 2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid.
What is the SMILES notation for 2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid?
The canonical SMILES for 2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid is O=C(NCCC(O)C(=O)O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid?
The InChIKey is AYMGZDSGEDZOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-11(13(18)19)5-6-14-12(17)9-7-15-10-4-2-1-3-8(9)10/h1-4,7,11,15-16H,5-6H2,(H,14,17)(H,18,19).
What are the key properties of 2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid?
2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid has a molecular weight of 262.27 g/mol, XLogP of 0.73, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid is sourced from PubChem (CID 107831836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).