(3R)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate

C15H14N3O5- — CID 7037985

IUPAC(3R)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate
SMILESO=C([O-])C[C@@H](CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C15H15N3O5/c19-12-7-11(17-15(23)18-12)14(22)16-8-10(6-13(20)21)9-4-2-1-3-5-9/h1-5,7,10H,6,8H2,(H,16,22)(H,20,21)(H2,17,18,19,23)/p-1/t10-/m0/s1
InChIKeyFYRVHIGVUQJEGI-JTQLQIEISA-M
MW316.29 g/mol
LogP-1.28
Rot. Bonds6

About (3R)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate

(3R)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate (PubChem CID 7037985) has the molecular formula C15H14N3O5- and a molecular weight of 316.29 g/mol. Its IUPAC name is (3R)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate.

Molecular Properties

Compound Name(3R)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate
PubChem CID7037985
Molecular FormulaC15H14N3O5-
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Name(3R)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate
SMILESO=C([O-])C[C@@H](CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C15H15N3O5/c19-12-7-11(17-15(23)18-12)14(22)16-8-10(6-13(20)21)9-4-2-1-3-5-9/h1-5,7,10H,6,8H2,(H,16,22)(H,20,21)(H2,17,18,19,23)/p-1/t10-/m0/s1
InChIKeyFYRVHIGVUQJEGI-JTQLQIEISA-M
XLogP-1.28
TPSA134.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate 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

2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid
CID 65219989
N-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 114332464
N-(2-hydroxy-4,4-dimethylpentyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 107155229
N-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 61413769
N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698237
2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide
CID 62659763
(3S)-4-[(2-methoxypyridine-3-carbonyl)amino]-3-phenylbutanoate
CID 6999499
N-[2-(2-hydroxyethyl)pentyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 106115873
2,4-dioxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyrimidine-6-carboxamide
CID 122262021
N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698232
N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 129203750
silver 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 12853056

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate?
The IUPAC name of (3R)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate (CID 7037985) is (3R)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate.
What is the SMILES notation for (3R)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate?
The canonical SMILES for (3R)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate is O=C([O-])C[C@@H](CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)c1ccccc1.
What is the InChIKey of (3R)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate?
The InChIKey is FYRVHIGVUQJEGI-JTQLQIEISA-M. The full InChI is InChI=1S/C15H15N3O5/c19-12-7-11(17-15(23)18-12)14(22)16-8-10(6-13(20)21)9-4-2-1-3-5-9/h1-5,7,10H,6,8H2,(H,16,22)(H,20,21)(H2,17,18,19,23)/p-1/t10-/m0/s1.
What are the key properties of (3R)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate?
(3R)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate has a molecular weight of 316.29 g/mol, XLogP of -1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate is sourced from PubChem (CID 7037985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).