(2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid

C12H12N2O4 — CID 80750330

IUPAC(2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
SMILESO=C(N[C@H](CO)C(=O)O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H12N2O4/c15-6-10(12(17)18)14-11(16)8-2-1-7-3-4-13-9(7)5-8/h1-5,10,13,15H,6H2,(H,14,16)(H,17,18)/t10-/m1/s1
InChIKeyWKHCTERLWAMIPK-SNVBAGLBSA-N
MW248.24 g/mol
LogP0.34
Rot. Bonds4

About (2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid

(2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid (PubChem CID 80750330) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
PubChem CID80750330
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name(2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
SMILESO=C(N[C@H](CO)C(=O)O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H12N2O4/c15-6-10(12(17)18)14-11(16)8-2-1-7-3-4-13-9(7)5-8/h1-5,10,13,15H,6H2,(H,14,16)(H,17,18)/t10-/m1/s1
InChIKeyWKHCTERLWAMIPK-SNVBAGLBSA-N
XLogP0.34
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 55230988
2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid
CID 63749129
(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 80751119
3-heptan-4-ylsulfonyl-2-(1H-indole-6-carbonylamino)propanoic acid;hydrochloride
CID 69320690
N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide
CID 103920171
2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 115353635
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
(2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid
CID 63748597
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide
CID 106353350
N-pent-1-yn-3-yl-1H-indole-6-carboxamide
CID 103579373
N-octan-4-yl-1H-indole-6-carboxamide
CID 106025028

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid (CID 80750330) is (2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid is O=C(N[C@H](CO)C(=O)O)c1ccc2cc[nH]c2c1.
What is the InChIKey of (2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid?
The InChIKey is WKHCTERLWAMIPK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-6-10(12(17)18)14-11(16)8-2-1-7-3-4-13-9(7)5-8/h1-5,10,13,15H,6H2,(H,14,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid?
(2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid has a molecular weight of 248.24 g/mol, XLogP of 0.34, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid is sourced from PubChem (CID 80750330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).