(3R)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid

C14H15N3O3 — CID 26581852

IUPAC(3R)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid
SMILESCOc1ccc(-c2ncc([C@H](N)CC(=O)O)cn2)cc1
InChIInChI=1S/C14H15N3O3/c1-20-11-4-2-9(3-5-11)14-16-7-10(8-17-14)12(15)6-13(18)19/h2-5,7-8,12H,6,15H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyYEURJPRABAAOEK-GFCCVEGCSA-N
MW273.29 g/mol
LogP1.63
Rot. Bonds5

About (3R)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid

(3R)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid (PubChem CID 26581852) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (3R)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid
PubChem CID26581852
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(3R)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid
SMILESCOc1ccc(-c2ncc([C@H](N)CC(=O)O)cn2)cc1
InChIInChI=1S/C14H15N3O3/c1-20-11-4-2-9(3-5-11)14-16-7-10(8-17-14)12(15)6-13(18)19/h2-5,7-8,12H,6,15H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyYEURJPRABAAOEK-GFCCVEGCSA-N
XLogP1.63
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid
CID 26581848
(3R)-3-amino-3-[2-(4-ethoxyphenyl)pyrimidin-5-yl]propanoic acid
CID 40801447
(3S)-3-amino-3-[2-(3,4-dimethoxyphenyl)pyrimidin-5-yl]propanoic acid
CID 40801420
3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 82366864
(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24832880
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
CID 155888018
(3R)-3-amino-3-[2-(2-ethoxyphenyl)pyrimidin-5-yl]propanoic acid
CID 40801390
(3R)-3-amino-3-[2-(4-ethoxyanilino)pyrimidin-5-yl]propanoic acid
CID 40788632
(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55293917
3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid
CID 156612944

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid?
The IUPAC name of (3R)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid (CID 26581852) is (3R)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid?
The canonical SMILES for (3R)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid is COc1ccc(-c2ncc([C@H](N)CC(=O)O)cn2)cc1.
What is the InChIKey of (3R)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid?
The InChIKey is YEURJPRABAAOEK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-20-11-4-2-9(3-5-11)14-16-7-10(8-17-14)12(15)6-13(18)19/h2-5,7-8,12H,6,15H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (3R)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid?
(3R)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 26581852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).