(2S)-2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid

C11H12N2O3 — CID 13393248

IUPAC(2S)-2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
SMILESN[C@@H](CC1C(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C11H12N2O3/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14/h1-4,7-8H,5,12H2,(H,13,14)(H,15,16)/t7?,8-/m0/s1
InChIKeySFJCKRJKEWLPTL-MQWKRIRWSA-N
MW220.23 g/mol
LogP0.52
Rot. Bonds3

About (2S)-2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid

(2S)-2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid (PubChem CID 13393248) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
PubChem CID13393248
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(2S)-2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
SMILESN[C@@H](CC1C(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C11H12N2O3/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14/h1-4,7-8H,5,12H2,(H,13,14)(H,15,16)/t7?,8-/m0/s1
InChIKeySFJCKRJKEWLPTL-MQWKRIRWSA-N
XLogP0.52
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Oxindole-3-acetic acid
CID 3080590
Indoline-2-carboxylic acid, (S)-
CID 2733920
alpha-Cyano-2,3-dihydro-2-oxo-1H-indole-3-acetic acid
CID 41166
Indoline-2-carboxylic acid, (R)-
CID 6928266
Indoline-2-carboxylic acid
CID 86074
3-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid
CID 5328539
1-(4-Benzoylamino-4-carboxy-butyryl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 13605547
1H-Indole-3-acetic acid, 2,3-dihydro-2-oxo-, methyl ester
CID 11287197
Methyl (3s,5'r)-2-Oxo-1,2-Dihydrospiro[indole-3,3'-Pyrrolidine]-5'-Carboxylate
CID 56940704
1-(4-Carboxy-butyryl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 13105662
1-(4-Carboxy-pentanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 13105674
1-(4-Carboxy-2-methyl-butyryl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 13105676

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid (CID 13393248) is (2S)-2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid is N[C@@H](CC1C(=O)Nc2ccccc21)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid?
The InChIKey is SFJCKRJKEWLPTL-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H12N2O3/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14/h1-4,7-8H,5,12H2,(H,13,14)(H,15,16)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid?
(2S)-2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid has a molecular weight of 220.23 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid is sourced from PubChem (CID 13393248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).