(2S)-2-amino-2-(2-pyridin-3-ylphenyl)acetic acid

C13H12N2O2 — CID 66512915

IUPAC(2S)-2-amino-2-(2-pyridin-3-ylphenyl)acetic acid
SMILESN[C@H](C(=O)O)c1ccccc1-c1cccnc1
InChIInChI=1S/C13H12N2O2/c14-12(13(16)17)11-6-2-1-5-10(11)9-4-3-7-15-8-9/h1-8,12H,14H2,(H,16,17)/t12-/m0/s1
InChIKeyFBIITPVRFPERRX-LBPRGKRZSA-N
MW228.25 g/mol
LogP1.83
Rot. Bonds3

About (2S)-2-amino-2-(2-pyridin-3-ylphenyl)acetic acid

(2S)-2-amino-2-(2-pyridin-3-ylphenyl)acetic acid (PubChem CID 66512915) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-pyridin-3-ylphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-pyridin-3-ylphenyl)acetic acid
PubChem CID66512915
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(2S)-2-amino-2-(2-pyridin-3-ylphenyl)acetic acid
SMILESN[C@H](C(=O)O)c1ccccc1-c1cccnc1
InChIInChI=1S/C13H12N2O2/c14-12(13(16)17)11-6-2-1-5-10(11)9-4-3-7-15-8-9/h1-8,12H,14H2,(H,16,17)/t12-/m0/s1
InChIKeyFBIITPVRFPERRX-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-pyridin-3-ylphenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(2-pyridin-3-ylphenyl)acetic acid (CID 66512915) is (2S)-2-amino-2-(2-pyridin-3-ylphenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(2-pyridin-3-ylphenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(2-pyridin-3-ylphenyl)acetic acid is N[C@H](C(=O)O)c1ccccc1-c1cccnc1.
What is the InChIKey of (2S)-2-amino-2-(2-pyridin-3-ylphenyl)acetic acid?
The InChIKey is FBIITPVRFPERRX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H12N2O2/c14-12(13(16)17)11-6-2-1-5-10(11)9-4-3-7-15-8-9/h1-8,12H,14H2,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-2-(2-pyridin-3-ylphenyl)acetic acid?
(2S)-2-amino-2-(2-pyridin-3-ylphenyl)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-(2-pyridin-3-ylphenyl)acetic acid is sourced from PubChem (CID 66512915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).