2-amino-2-(4-pyridin-3-ylphenyl)acetic acid

C13H12N2O2 — CID 77129112

IUPAC2-amino-2-(4-pyridin-3-ylphenyl)acetic acid
SMILESNC(C(=O)O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C13H12N2O2/c14-12(13(16)17)10-5-3-9(4-6-10)11-2-1-7-15-8-11/h1-8,12H,14H2,(H,16,17)
InChIKeyCERUIVWZZSHXQM-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.83
Rot. Bonds3

About 2-amino-2-(4-pyridin-3-ylphenyl)acetic acid

2-amino-2-(4-pyridin-3-ylphenyl)acetic acid (PubChem CID 77129112) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-amino-2-(4-pyridin-3-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-pyridin-3-ylphenyl)acetic acid
PubChem CID77129112
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-amino-2-(4-pyridin-3-ylphenyl)acetic acid
SMILESNC(C(=O)O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C13H12N2O2/c14-12(13(16)17)10-5-3-9(4-6-10)11-2-1-7-15-8-11/h1-8,12H,14H2,(H,16,17)
InChIKeyCERUIVWZZSHXQM-UHFFFAOYSA-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

(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 131872302
(2S)-2-amino-2-(2-pyridin-3-ylphenyl)acetic acid
CID 66512915
(1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine
CID 66511645
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
3-azulen-6-ylpyridine
CID 86232079
(1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol
CID 71050048
2-amino-2-pyridin-4-ylacetic acid;hydrochloride
CID 42614333
3-cyclopentyl-2-(4-pyridin-3-ylphenyl)propanoic acid
CID 22467900
2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid
CID 77129538
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-pyridin-3-ylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(4-pyridin-3-ylphenyl)acetic acid (CID 77129112) is 2-amino-2-(4-pyridin-3-ylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-pyridin-3-ylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(4-pyridin-3-ylphenyl)acetic acid is NC(C(=O)O)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 2-amino-2-(4-pyridin-3-ylphenyl)acetic acid?
The InChIKey is CERUIVWZZSHXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c14-12(13(16)17)10-5-3-9(4-6-10)11-2-1-7-15-8-11/h1-8,12H,14H2,(H,16,17).
What are the key properties of 2-amino-2-(4-pyridin-3-ylphenyl)acetic acid?
2-amino-2-(4-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 2-amino-2-(4-pyridin-3-ylphenyl)acetic acid is sourced from PubChem (CID 77129112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).