2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic acid

C13H19N3O2 — CID 116902314

IUPAC2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic acid
SMILESNC(Cc1nccc(C2CCCCC2)n1)C(=O)O
InChIInChI=1S/C13H19N3O2/c14-10(13(17)18)8-12-15-7-6-11(16-12)9-4-2-1-3-5-9/h6-7,9-10H,1-5,8,14H2,(H,17,18)
InChIKeyMBSOWFMDHBLILH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.48
Rot. Bonds4

About 2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic acid

2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic acid (PubChem CID 116902314) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic acid
PubChem CID116902314
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic acid
SMILESNC(Cc1nccc(C2CCCCC2)n1)C(=O)O
InChIInChI=1S/C13H19N3O2/c14-10(13(17)18)8-12-15-7-6-11(16-12)9-4-2-1-3-5-9/h6-7,9-10H,1-5,8,14H2,(H,17,18)
InChIKeyMBSOWFMDHBLILH-UHFFFAOYSA-N
XLogP1.48
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic 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

(4-cyclopentylpyrimidin-2-yl)methanol
CID 116899510
2-(4-cyclohexylpyrimidin-2-yl)ethanol
CID 116899631
2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid
CID 116900046
N-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine
CID 63318874
4-cyclopropyl-2-(2-methylpropyl)pyrimidine
CID 70659268
4-(4-cyclobutylpyrimidin-2-yl)butan-2-one
CID 116901689
(2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid
CID 68534657
2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid
CID 116899904
N-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide
CID 171593679
2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid
CID 115041987
2-amino-2-[4-(oxan-3-yl)pyrimidin-2-yl]acetic acid
CID 115041986
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic acid?
The IUPAC name of 2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic acid (CID 116902314) is 2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic acid is NC(Cc1nccc(C2CCCCC2)n1)C(=O)O.
What is the InChIKey of 2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic acid?
The InChIKey is MBSOWFMDHBLILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-10(13(17)18)8-12-15-7-6-11(16-12)9-4-2-1-3-5-9/h6-7,9-10H,1-5,8,14H2,(H,17,18).
What are the key properties of 2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic acid?
2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 116902314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).