methyl 5-hydroxy-2-[(2S)-5-methyl-1-phenylmethoxycarbonylpyrrolidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxylate

C19H21N3O6 — CID 135796723

IUPACmethyl 5-hydroxy-2-[(2S)-5-methyl-1-phenylmethoxycarbonylpyrrolidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc([C@@H]2CCC(C)N2C(=O)OCc2ccccc2)[nH]c(=O)c1O
InChIInChI=1S/C19H21N3O6/c1-11-8-9-13(16-20-14(18(25)27-2)15(23)17(24)21-16)22(11)19(26)28-10-12-6-4-3-5-7-12/h3-7,11,13,23H,8-10H2,1-2H3,(H,20,21,24)/t11?,13-/m0/s1
InChIKeyUJSGAEWUFDRINT-YUZLPWPTSA-N
MW387.39 g/mol
LogP2.12
Rot. Bonds4

About methyl 5-hydroxy-2-[(2S)-5-methyl-1-phenylmethoxycarbonylpyrrolidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxylate

methyl 5-hydroxy-2-[(2S)-5-methyl-1-phenylmethoxycarbonylpyrrolidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxylate (PubChem CID 135796723) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is methyl 5-hydroxy-2-[(2S)-5-methyl-1-phenylmethoxycarbonylpyrrolidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxy-2-[(2S)-5-methyl-1-phenylmethoxycarbonylpyrrolidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxylate
PubChem CID135796723
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Namemethyl 5-hydroxy-2-[(2S)-5-methyl-1-phenylmethoxycarbonylpyrrolidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc([C@@H]2CCC(C)N2C(=O)OCc2ccccc2)[nH]c(=O)c1O
InChIInChI=1S/C19H21N3O6/c1-11-8-9-13(16-20-14(18(25)27-2)15(23)17(24)21-16)22(11)19(26)28-10-12-6-4-3-5-7-12/h3-7,11,13,23H,8-10H2,1-2H3,(H,20,21,24)/t11?,13-/m0/s1
InChIKeyUJSGAEWUFDRINT-YUZLPWPTSA-N
XLogP2.12
TPSA121.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-hydroxy-2-[(2S)-5-methyl-1-phenylmethoxycarbonylpyrrolidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxylate 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

methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
CID 137027779
methyl 5-hydroxy-6-oxo-2-[1-(phenylmethoxycarbonylamino)cyclopropyl]-1H-pyrimidine-4-carboxylate
CID 135446262
methyl 5-benzoyloxy-2-[(2S)-4,4-difluoro-1-phenylmethoxycarbonylpyrrolidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxylate
CID 135796733
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
benzyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]-5-methylpyrrolidine-1-carboxylate
CID 23626155
benzyl (2S,5R)-2-(methoxymethyl)-5-methylpyrrolidine-1-carboxylate
CID 102294969
benzyl (2S,3S,5R)-3-hydroxy-2,5-dimethylpyrrolidine-1-carboxylate
CID 59273085
1-O-benzyl 2-O-methyl (2S,5R)-5-(4-methylphenyl)pyrrolidine-1,2-dicarboxylate
CID 25196147
benzyl 2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 54133253
benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 57066025
1-O-benzyl 4-O-methyl (2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1,4-dicarboxylate
CID 54717758
(5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
CID 91514351

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-2-[(2S)-5-methyl-1-phenylmethoxycarbonylpyrrolidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxylate?
The IUPAC name of methyl 5-hydroxy-2-[(2S)-5-methyl-1-phenylmethoxycarbonylpyrrolidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxylate (CID 135796723) is methyl 5-hydroxy-2-[(2S)-5-methyl-1-phenylmethoxycarbonylpyrrolidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-hydroxy-2-[(2S)-5-methyl-1-phenylmethoxycarbonylpyrrolidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-hydroxy-2-[(2S)-5-methyl-1-phenylmethoxycarbonylpyrrolidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxylate is COC(=O)c1nc([C@@H]2CCC(C)N2C(=O)OCc2ccccc2)[nH]c(=O)c1O.
What is the InChIKey of methyl 5-hydroxy-2-[(2S)-5-methyl-1-phenylmethoxycarbonylpyrrolidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxylate?
The InChIKey is UJSGAEWUFDRINT-YUZLPWPTSA-N. The full InChI is InChI=1S/C19H21N3O6/c1-11-8-9-13(16-20-14(18(25)27-2)15(23)17(24)21-16)22(11)19(26)28-10-12-6-4-3-5-7-12/h3-7,11,13,23H,8-10H2,1-2H3,(H,20,21,24)/t11?,13-/m0/s1.
What are the key properties of methyl 5-hydroxy-2-[(2S)-5-methyl-1-phenylmethoxycarbonylpyrrolidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxylate?
methyl 5-hydroxy-2-[(2S)-5-methyl-1-phenylmethoxycarbonylpyrrolidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxylate has a molecular weight of 387.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-2-[(2S)-5-methyl-1-phenylmethoxycarbonylpyrrolidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 135796723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).