(2R)-3-[[5-(3,3-diphenylpropanoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid

C24H23N3O5 — CID 157120624

IUPAC(2R)-3-[[5-(3,3-diphenylpropanoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid
SMILESC[C@H](CNC(=O)c1ncc(C(=O)CC(c2ccccc2)c2ccccc2)c(=O)[nH]1)C(=O)O
InChIInChI=1S/C24H23N3O5/c1-15(24(31)32)13-26-23(30)21-25-14-19(22(29)27-21)20(28)12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14-15,18H,12-13H2,1H3,(H,26,30)(H,31,32)(H,25,27,29)/t15-/m1/s1
InChIKeyAHXSNLTXMRQDBY-OAHLLOKOSA-N
MW433.46 g/mol
LogP2.63
Rot. Bonds9

About (2R)-3-[[5-(3,3-diphenylpropanoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid

(2R)-3-[[5-(3,3-diphenylpropanoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 157120624) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is (2R)-3-[[5-(3,3-diphenylpropanoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-[[5-(3,3-diphenylpropanoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid
PubChem CID157120624
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name(2R)-3-[[5-(3,3-diphenylpropanoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid
SMILESC[C@H](CNC(=O)c1ncc(C(=O)CC(c2ccccc2)c2ccccc2)c(=O)[nH]1)C(=O)O
InChIInChI=1S/C24H23N3O5/c1-15(24(31)32)13-26-23(30)21-25-14-19(22(29)27-21)20(28)12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14-15,18H,12-13H2,1H3,(H,26,30)(H,31,32)(H,25,27,29)/t15-/m1/s1
InChIKeyAHXSNLTXMRQDBY-OAHLLOKOSA-N
XLogP2.63
TPSA129.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-3-[[5-(3,3-diphenylpropanoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid with MolForge

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Related Compounds

(2R)-3-[[5-[2-[4-(4-fluorophenyl)phenyl]propan-2-ylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid
CID 130365686
(2R)-2-methyl-3-[[6-oxo-5-[2-(4-pyridin-3-ylphenyl)propan-2-ylcarbamoyl]-1H-pyrimidine-2-carbonyl]amino]propanoic acid
CID 130365685
5-N-benzhydryl-2-N-(diethoxyphosphanylmethyl)-6-oxo-1H-pyrimidine-2,5-dicarboxamide
CID 129057663
2-[[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]ethanesulfonic acid
CID 71533348
3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid
CID 62675489
[[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino] propanoate
CID 145057835
5-[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidin-2-yl]-2-hydroxy-2-methyl-5-oxopentanoic acid
CID 148748647
5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide
CID 90341537
ethoxycarbonyloxymethyl 2-[[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]acetate
CID 121276613
2-methyl-3-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonyl)amino]propanoic acid
CID 150196014
1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one;hydrochloride
CID 11617364
2-methyl-3-[(4-methyl-3-phenylpentanoyl)amino]propanoic acid
CID 75513474

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[5-(3,3-diphenylpropanoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of (2R)-3-[[5-(3,3-diphenylpropanoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid (CID 157120624) is (2R)-3-[[5-(3,3-diphenylpropanoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-[[5-(3,3-diphenylpropanoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-[[5-(3,3-diphenylpropanoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid is C[C@H](CNC(=O)c1ncc(C(=O)CC(c2ccccc2)c2ccccc2)c(=O)[nH]1)C(=O)O.
What is the InChIKey of (2R)-3-[[5-(3,3-diphenylpropanoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is AHXSNLTXMRQDBY-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-15(24(31)32)13-26-23(30)21-25-14-19(22(29)27-21)20(28)12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14-15,18H,12-13H2,1H3,(H,26,30)(H,31,32)(H,25,27,29)/t15-/m1/s1.
What are the key properties of (2R)-3-[[5-(3,3-diphenylpropanoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid?
(2R)-3-[[5-(3,3-diphenylpropanoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 433.46 g/mol, XLogP of 2.63, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[5-(3,3-diphenylpropanoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 157120624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).