(2R)-3-[[5-[2-[4-(4-fluorophenyl)phenyl]propan-2-ylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid

C25H25FN4O5 — CID 130365686

IUPAC(2R)-3-[[5-[2-[4-(4-fluorophenyl)phenyl]propan-2-ylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid
SMILESC[C@H](CNC(=O)c1ncc(C(=O)NC(C)(C)c2ccc(-c3ccc(F)cc3)cc2)c(=O)[nH]1)C(=O)O
InChIInChI=1S/C25H25FN4O5/c1-14(24(34)35)12-28-23(33)20-27-13-19(21(31)29-20)22(32)30-25(2,3)17-8-4-15(5-9-17)16-6-10-18(26)11-7-16/h4-11,13-14H,12H2,1-3H3,(H,28,33)(H,30,32)(H,34,35)(H,27,29,31)/t14-/m1/s1
InChIKeyCPSPRHCGGVVYHQ-CQSZACIVSA-N
MW480.50 g/mol
LogP2.69
Rot. Bonds8

About (2R)-3-[[5-[2-[4-(4-fluorophenyl)phenyl]propan-2-ylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid

(2R)-3-[[5-[2-[4-(4-fluorophenyl)phenyl]propan-2-ylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 130365686) has the molecular formula C25H25FN4O5 and a molecular weight of 480.50 g/mol. Its IUPAC name is (2R)-3-[[5-[2-[4-(4-fluorophenyl)phenyl]propan-2-ylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-[[5-[2-[4-(4-fluorophenyl)phenyl]propan-2-ylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid
PubChem CID130365686
Molecular FormulaC25H25FN4O5
Molecular Weight480.50 g/mol
Exact Mass480.18
IUPAC Name(2R)-3-[[5-[2-[4-(4-fluorophenyl)phenyl]propan-2-ylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid
SMILESC[C@H](CNC(=O)c1ncc(C(=O)NC(C)(C)c2ccc(-c3ccc(F)cc3)cc2)c(=O)[nH]1)C(=O)O
InChIInChI=1S/C25H25FN4O5/c1-14(24(34)35)12-28-23(33)20-27-13-19(21(31)29-20)22(32)30-25(2,3)17-8-4-15(5-9-17)16-6-10-18(26)11-7-16/h4-11,13-14H,12H2,1-3H3,(H,28,33)(H,30,32)(H,34,35)(H,27,29,31)/t14-/m1/s1
InChIKeyCPSPRHCGGVVYHQ-CQSZACIVSA-N
XLogP2.69
TPSA141.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R)-3-[[5-[2-[4-(4-fluorophenyl)phenyl]propan-2-ylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[5-[2-[4-(4-fluorophenyl)phenyl]propan-2-ylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of (2R)-3-[[5-[2-[4-(4-fluorophenyl)phenyl]propan-2-ylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid (CID 130365686) is (2R)-3-[[5-[2-[4-(4-fluorophenyl)phenyl]propan-2-ylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-[[5-[2-[4-(4-fluorophenyl)phenyl]propan-2-ylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-[[5-[2-[4-(4-fluorophenyl)phenyl]propan-2-ylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid is C[C@H](CNC(=O)c1ncc(C(=O)NC(C)(C)c2ccc(-c3ccc(F)cc3)cc2)c(=O)[nH]1)C(=O)O.
What is the InChIKey of (2R)-3-[[5-[2-[4-(4-fluorophenyl)phenyl]propan-2-ylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is CPSPRHCGGVVYHQ-CQSZACIVSA-N. The full InChI is InChI=1S/C25H25FN4O5/c1-14(24(34)35)12-28-23(33)20-27-13-19(21(31)29-20)22(32)30-25(2,3)17-8-4-15(5-9-17)16-6-10-18(26)11-7-16/h4-11,13-14H,12H2,1-3H3,(H,28,33)(H,30,32)(H,34,35)(H,27,29,31)/t14-/m1/s1.
What are the key properties of (2R)-3-[[5-[2-[4-(4-fluorophenyl)phenyl]propan-2-ylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid?
(2R)-3-[[5-[2-[4-(4-fluorophenyl)phenyl]propan-2-ylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 480.50 g/mol, XLogP of 2.69, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[5-[2-[4-(4-fluorophenyl)phenyl]propan-2-ylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 130365686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).