2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid

C10H10N2O3 — CID 134861638

IUPAC2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid
SMILESN[C@]1(CC(=O)O)C(=O)Nc2ccccc21
InChIInChI=1S/C10H10N2O3/c11-10(5-8(13)14)6-3-1-2-4-7(6)12-9(10)15/h1-4H,5,11H2,(H,12,15)(H,13,14)/t10-/m0/s1
InChIKeyNQLGWHSSFBJFOL-JTQLQIEISA-N
MW206.20 g/mol
LogP0.27
Rot. Bonds2

About 2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid

2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid (PubChem CID 134861638) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid
PubChem CID134861638
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid
SMILESN[C@]1(CC(=O)O)C(=O)Nc2ccccc21
InChIInChI=1S/C10H10N2O3/c11-10(5-8(13)14)6-3-1-2-4-7(6)12-9(10)15/h1-4H,5,11H2,(H,12,15)(H,13,14)/t10-/m0/s1
InChIKeyNQLGWHSSFBJFOL-JTQLQIEISA-N
XLogP0.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic 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

ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
CID 143412734
CID 146949857
CID 146949857
3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one
CID 2898049
(3R)-3-hydroxy-3-[(E)-2-hydroxy-4-oxopent-2-enyl]-1H-indol-2-one
CID 177471424
(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
CID 139192718
(3S)-3-amino-5-chloro-3-(hydroxymethyl)-1H-indol-2-one
CID 130804081
3-butyl-3-hydroxy-1H-indol-2-one
CID 15744776
(3R)-3-nitro-3-phenyl-1H-indol-2-one
CID 164681238
3,3-dimethyl-1H-indol-2-one;ethanol
CID 158151574
(3R)-3-amino-3-ethenyl-1H-indol-2-one
CID 130731413
3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one
CID 3838372
methyl 3-(3-hydroxy-2-oxo-1H-indol-3-yl)propanoate
CID 14903574

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid (CID 134861638) is 2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid is N[C@]1(CC(=O)O)C(=O)Nc2ccccc21.
What is the InChIKey of 2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid?
The InChIKey is NQLGWHSSFBJFOL-JTQLQIEISA-N. The full InChI is InChI=1S/C10H10N2O3/c11-10(5-8(13)14)6-3-1-2-4-7(6)12-9(10)15/h1-4H,5,11H2,(H,12,15)(H,13,14)/t10-/m0/s1.
What are the key properties of 2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid?
2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid has a molecular weight of 206.20 g/mol, XLogP of 0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 134861638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).