2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid

C12H11N3O2 — CID 115037019

IUPAC2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid
SMILESNC(C(=O)O)c1ncc(-c2ccccc2)cn1
InChIInChI=1S/C12H11N3O2/c13-10(12(16)17)11-14-6-9(7-15-11)8-4-2-1-3-5-8/h1-7,10H,13H2,(H,16,17)
InChIKeyGGZAQRNJTDVTKC-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.23
Rot. Bonds3

About 2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid

2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid (PubChem CID 115037019) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid
PubChem CID115037019
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid
SMILESNC(C(=O)O)c1ncc(-c2ccccc2)cn1
InChIInChI=1S/C12H11N3O2/c13-10(12(16)17)11-14-6-9(7-15-11)8-4-2-1-3-5-8/h1-7,10H,13H2,(H,16,17)
InChIKeyGGZAQRNJTDVTKC-UHFFFAOYSA-N
XLogP1.23
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid
CID 115044956
(2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid
CID 86314474
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
2-amino-2-(4-pyridin-3-ylphenyl)acetic acid
CID 77129112
2-(5-phenylpyrimidin-2-yl)acetic acid
CID 83917086
(2S)-2-amino-2-(2-pyridin-3-ylphenyl)acetic acid
CID 66512915
CID 172809734
CID 172809734
2-amino-2-isoquinolin-3-ylacetic acid
CID 84776704
1,1'-biphenyl;2,3-dihydroxybutanedioic acid
CID 70563433
sodium;(2S)-2-amino-2-phenylacetic acid;carbanide
CID 175955614
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid?
The IUPAC name of 2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid (CID 115037019) is 2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid is NC(C(=O)O)c1ncc(-c2ccccc2)cn1.
What is the InChIKey of 2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid?
The InChIKey is GGZAQRNJTDVTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-10(12(16)17)11-14-6-9(7-15-11)8-4-2-1-3-5-8/h1-7,10H,13H2,(H,16,17).
What are the key properties of 2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid?
2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid has a molecular weight of 229.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid is sourced from PubChem (CID 115037019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).