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

C13H14N2O4 — CID 107823080

IUPAC(2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H14N2O4/c16-6-5-10(13(18)19)15-12(17)11-7-8-3-1-2-4-9(8)14-11/h1-4,7,10,14,16H,5-6H2,(H,15,17)(H,18,19)/t10-/m1/s1
InChIKeyWJLNXKWMRCNYGC-SNVBAGLBSA-N
MW262.26 g/mol
LogP0.73
Rot. Bonds5

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

(2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid (PubChem CID 107823080) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid
PubChem CID107823080
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name(2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H14N2O4/c16-6-5-10(13(18)19)15-12(17)11-7-8-3-1-2-4-9(8)14-11/h1-4,7,10,14,16H,5-6H2,(H,15,17)(H,18,19)/t10-/m1/s1
InChIKeyWJLNXKWMRCNYGC-SNVBAGLBSA-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 ≤ 500262.26
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic 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

N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid
CID 61244394
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid
CID 107564052
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanedioic acid
CID 151134503
(4R)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid
CID 14720390
N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 6722885
N-(dicyclopropylmethyl)-1H-indole-2-carboxamide
CID 47143820
N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
CID 95253875
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
(2S)-2-(1-benzothiophene-2-carbonylamino)-4-hydroxybutanoic acid
CID 107821667
methyl 2-(1H-indole-2-carbonylamino)-3-tritylsulfanylpropanoate
CID 71183941
N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 3618702

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid (CID 107823080) is (2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid is O=C(N[C@H](CCO)C(=O)O)c1cc2ccccc2[nH]1.
What is the InChIKey of (2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid?
The InChIKey is WJLNXKWMRCNYGC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-6-5-10(13(18)19)15-12(17)11-7-8-3-1-2-4-9(8)14-11/h1-4,7,10,14,16H,5-6H2,(H,15,17)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid?
(2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid has a molecular weight of 262.26 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 (2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid is sourced from PubChem (CID 107823080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).