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

C11H10N2O3 — CID 121438025

IUPAC(2S)-2-amino-3-(2-oxoindol-3-yl)propanoic acid
SMILESN[C@@H](CC1=c2ccccc2=NC1=O)C(=O)O
InChIInChI=1S/C11H10N2O3/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14/h1-4,8H,5,12H2,(H,15,16)/t8-/m0/s1
InChIKeyAIRJVIYQQHBBDH-QMMMGPOBSA-N
MW218.21 g/mol
LogP-1.20
Rot. Bonds3

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

(2S)-2-amino-3-(2-oxoindol-3-yl)propanoic acid (PubChem CID 121438025) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-oxoindol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-oxoindol-3-yl)propanoic acid
PubChem CID121438025
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name(2S)-2-amino-3-(2-oxoindol-3-yl)propanoic acid
SMILESN[C@@H](CC1=c2ccccc2=NC1=O)C(=O)O
InChIInChI=1S/C11H10N2O3/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14/h1-4,8H,5,12H2,(H,15,16)/t8-/m0/s1
InChIKeyAIRJVIYQQHBBDH-QMMMGPOBSA-N
XLogP-1.20
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 175107963
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3-[(2S)-2-amino-2-carboxyethyl]-4-carbamoylbenzoic acid;benzimidazol-2-one
CID 67175102
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
CID 70476310
CID 70476310
acetylene;(2S)-2-amino-3-phenylpropanoic acid
CID 158164827
2-amino-3-phenylpropanoic acid;ethane
CID 91596942

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-oxoindol-3-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-oxoindol-3-yl)propanoic acid (CID 121438025) is (2S)-2-amino-3-(2-oxoindol-3-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-oxoindol-3-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-oxoindol-3-yl)propanoic acid is N[C@@H](CC1=c2ccccc2=NC1=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2-oxoindol-3-yl)propanoic acid?
The InChIKey is AIRJVIYQQHBBDH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H10N2O3/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14/h1-4,8H,5,12H2,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-oxoindol-3-yl)propanoic acid?
(2S)-2-amino-3-(2-oxoindol-3-yl)propanoic acid has a molecular weight of 218.21 g/mol, XLogP of -1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-oxoindol-3-yl)propanoic acid is sourced from PubChem (CID 121438025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).