(2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid

C13H12N2O2 — CID 86314474

IUPAC(2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid
SMILESN[C@H](C(=O)O)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C13H12N2O2/c14-12(13(16)17)10-6-7-11(15-8-10)9-4-2-1-3-5-9/h1-8,12H,14H2,(H,16,17)/t12-/m0/s1
InChIKeyAAUQEYLFDWUHRR-LBPRGKRZSA-N
MW228.25 g/mol
LogP1.83
Rot. Bonds3

About (2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid

(2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid (PubChem CID 86314474) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid
PubChem CID86314474
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid
SMILESN[C@H](C(=O)O)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C13H12N2O2/c14-12(13(16)17)10-6-7-11(15-8-10)9-4-2-1-3-5-9/h1-8,12H,14H2,(H,16,17)/t12-/m0/s1
InChIKeyAAUQEYLFDWUHRR-LBPRGKRZSA-N
XLogP1.83
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride
CID 24730356
3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid
CID 156612944
5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid
CID 130679702
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid
CID 115037019
CID 172809734
CID 172809734
2-amino-2-[6-[4-cyano-2-(6-phenylpyridazin-4-yl)oxyphenyl]-3-pyridinyl]acetic acid
CID 167428980
2-amino-2-(4-pyridin-3-ylphenyl)acetic acid
CID 77129112
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
sodium;(2S)-2-amino-2-phenylacetic acid;carbanide
CID 175955614
phenyl-(6-phenyl-3-pyridinyl)methanone
CID 10890606

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid (CID 86314474) is (2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid is N[C@H](C(=O)O)c1ccc(-c2ccccc2)nc1.
What is the InChIKey of (2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid?
The InChIKey is AAUQEYLFDWUHRR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H12N2O2/c14-12(13(16)17)10-6-7-11(15-8-10)9-4-2-1-3-5-9/h1-8,12H,14H2,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid?
(2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid has a molecular weight of 228.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid is sourced from PubChem (CID 86314474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).