(2S)-2-amino-3-(3-hydroxyindol-3-yl)propanoic acid

C11H12N2O3 — CID 70566881

IUPAC(2S)-2-amino-3-(3-hydroxyindol-3-yl)propanoic acid
SMILESN[C@@H](CC1(O)C=Nc2ccccc21)C(=O)O
InChIInChI=1S/C11H12N2O3/c12-8(10(14)15)5-11(16)6-13-9-4-2-1-3-7(9)11/h1-4,6,8,16H,5,12H2,(H,14,15)/t8-,11?/m0/s1
InChIKeyGQKOJUKINKVAHC-YMNIQAILSA-N
MW220.23 g/mol
LogP0.39
Rot. Bonds3

About (2S)-2-amino-3-(3-hydroxyindol-3-yl)propanoic acid

(2S)-2-amino-3-(3-hydroxyindol-3-yl)propanoic acid (PubChem CID 70566881) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-hydroxyindol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-hydroxyindol-3-yl)propanoic acid
PubChem CID70566881
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(2S)-2-amino-3-(3-hydroxyindol-3-yl)propanoic acid
SMILESN[C@@H](CC1(O)C=Nc2ccccc21)C(=O)O
InChIInChI=1S/C11H12N2O3/c12-8(10(14)15)5-11(16)6-13-9-4-2-1-3-7(9)11/h1-4,6,8,16H,5,12H2,(H,14,15)/t8-,11?/m0/s1
InChIKeyGQKOJUKINKVAHC-YMNIQAILSA-N
XLogP0.39
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-(3-hydroxyindol-3-yl)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)-2-amino-3-[(3R)-2,3-dihydroxy-1,2-dihydroindol-3-yl]propanoic acid
CID 67062778
3-[(2aR,7aS)-7,7a-dihydro-2H-oxeto[2,3-b]indol-2a-yl]-2-aminopropanoic acid
CID 67062753
(2S)-2-amino-3-[(3S)-3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid
CID 58171326
2-amino-3-[3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid
CID 67062782
3-bromoindol-3-ol
CID 68520694
(2S)-3-[(3aS,8bS)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]-2-aminopropanoic acid
CID 58171340
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
2-(3-formylindol-3-yl)acetic acid
CID 135207400
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-amino-3-(10,10-dimethyl-9-phenylanthracen-9-yl)sulfanylpropanoic acid
CID 70056074
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-hydroxyindol-3-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(3-hydroxyindol-3-yl)propanoic acid (CID 70566881) is (2S)-2-amino-3-(3-hydroxyindol-3-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(3-hydroxyindol-3-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(3-hydroxyindol-3-yl)propanoic acid is N[C@@H](CC1(O)C=Nc2ccccc21)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(3-hydroxyindol-3-yl)propanoic acid?
The InChIKey is GQKOJUKINKVAHC-YMNIQAILSA-N. The full InChI is InChI=1S/C11H12N2O3/c12-8(10(14)15)5-11(16)6-13-9-4-2-1-3-7(9)11/h1-4,6,8,16H,5,12H2,(H,14,15)/t8-,11?/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-hydroxyindol-3-yl)propanoic acid?
(2S)-2-amino-3-(3-hydroxyindol-3-yl)propanoic acid has a molecular weight of 220.23 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-hydroxyindol-3-yl)propanoic acid is sourced from PubChem (CID 70566881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).