2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid

C13H13N3O2 — CID 115044956

IUPAC2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid
SMILESNC(Cc1ncc(-c2ccccc2)cn1)C(=O)O
InChIInChI=1S/C13H13N3O2/c14-11(13(17)18)6-12-15-7-10(8-16-12)9-4-2-1-3-5-9/h1-5,7-8,11H,6,14H2,(H,17,18)
InChIKeyGFBUAUPCFSDIBM-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.10
Rot. Bonds4

About 2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid

2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid (PubChem CID 115044956) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid
PubChem CID115044956
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid
SMILESNC(Cc1ncc(-c2ccccc2)cn1)C(=O)O
InChIInChI=1S/C13H13N3O2/c14-11(13(17)18)6-12-15-7-10(8-16-12)9-4-2-1-3-5-9/h1-5,7-8,11H,6,14H2,(H,17,18)
InChIKeyGFBUAUPCFSDIBM-UHFFFAOYSA-N
XLogP1.10
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid
CID 115037019
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid
CID 169025030
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 131872302
(2S)-2-amino-3-(4-phenyl-1H-imidazol-5-yl)propanoic acid
CID 72723427
2-amino-4-(4-phenylphenoxy)butanoic acid
CID 63041328
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid?
The IUPAC name of 2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid (CID 115044956) is 2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid is NC(Cc1ncc(-c2ccccc2)cn1)C(=O)O.
What is the InChIKey of 2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid?
The InChIKey is GFBUAUPCFSDIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-11(13(17)18)6-12-15-7-10(8-16-12)9-4-2-1-3-5-9/h1-5,7-8,11H,6,14H2,(H,17,18).
What are the key properties of 2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid?
2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid has a molecular weight of 243.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 115044956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).