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

C15H17N3O3 — CID 40801447

IUPAC(3R)-3-amino-3-[2-(4-ethoxyphenyl)pyrimidin-5-yl]propanoic acid
SMILESCCOc1ccc(-c2ncc([C@H](N)CC(=O)O)cn2)cc1
InChIInChI=1S/C15H17N3O3/c1-2-21-12-5-3-10(4-6-12)15-17-8-11(9-18-15)13(16)7-14(19)20/h3-6,8-9,13H,2,7,16H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyZOPMUKYCYQMJSI-CYBMUJFWSA-N
MW287.32 g/mol
LogP2.02
Rot. Bonds6

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

(3R)-3-amino-3-[2-(4-ethoxyphenyl)pyrimidin-5-yl]propanoic acid (PubChem CID 40801447) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (3R)-3-amino-3-[2-(4-ethoxyphenyl)pyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-[2-(4-ethoxyphenyl)pyrimidin-5-yl]propanoic acid
PubChem CID40801447
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(3R)-3-amino-3-[2-(4-ethoxyphenyl)pyrimidin-5-yl]propanoic acid
SMILESCCOc1ccc(-c2ncc([C@H](N)CC(=O)O)cn2)cc1
InChIInChI=1S/C15H17N3O3/c1-2-21-12-5-3-10(4-6-12)15-17-8-11(9-18-15)13(16)7-14(19)20/h3-6,8-9,13H,2,7,16H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyZOPMUKYCYQMJSI-CYBMUJFWSA-N
XLogP2.02
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid
CID 26581852
(3S)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid
CID 26581848
(3R)-3-amino-3-[2-(4-ethoxyanilino)pyrimidin-5-yl]propanoic acid
CID 40788632
(3S)-3-amino-3-[2-(3,4-dimethoxyphenyl)pyrimidin-5-yl]propanoic acid
CID 40801420
(3R)-3-amino-3-[2-(2-ethoxyphenyl)pyrimidin-5-yl]propanoic acid
CID 40801390
(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid
CID 2060966
3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 82366864
3-amino-3-(4-ethoxy-2-ethylphenyl)propanoic acid
CID 3563423
(3R)-3-amino-3-[4-(2-methylpropoxy)phenyl]propanoic acid
CID 776432
(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55293917
4-(5-ethoxy-2-pyridinyl)benzoic acid
CID 110282358
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-[2-(4-ethoxyphenyl)pyrimidin-5-yl]propanoic acid?
The IUPAC name of (3R)-3-amino-3-[2-(4-ethoxyphenyl)pyrimidin-5-yl]propanoic acid (CID 40801447) is (3R)-3-amino-3-[2-(4-ethoxyphenyl)pyrimidin-5-yl]propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-[2-(4-ethoxyphenyl)pyrimidin-5-yl]propanoic acid?
The canonical SMILES for (3R)-3-amino-3-[2-(4-ethoxyphenyl)pyrimidin-5-yl]propanoic acid is CCOc1ccc(-c2ncc([C@H](N)CC(=O)O)cn2)cc1.
What is the InChIKey of (3R)-3-amino-3-[2-(4-ethoxyphenyl)pyrimidin-5-yl]propanoic acid?
The InChIKey is ZOPMUKYCYQMJSI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-21-12-5-3-10(4-6-12)15-17-8-11(9-18-15)13(16)7-14(19)20/h3-6,8-9,13H,2,7,16H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (3R)-3-amino-3-[2-(4-ethoxyphenyl)pyrimidin-5-yl]propanoic acid?
(3R)-3-amino-3-[2-(4-ethoxyphenyl)pyrimidin-5-yl]propanoic acid has a molecular weight of 287.32 g/mol, XLogP of 2.02, 6 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-ethoxyphenyl)pyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 40801447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).