benzyl 4-hydroxy-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate

C20H22N2O4 — CID 3236460

IUPACbenzyl 4-hydroxy-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCc1cccc(NC(=O)C2CC(O)CN2C(=O)OCc2ccccc2)c1
InChIInChI=1S/C20H22N2O4/c1-14-6-5-9-16(10-14)21-19(24)18-11-17(23)12-22(18)20(25)26-13-15-7-3-2-4-8-15/h2-10,17-18,23H,11-13H2,1H3,(H,21,24)
InChIKeyDJPVFQBIPITYOI-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.71
Rot. Bonds4

About benzyl 4-hydroxy-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate

benzyl 4-hydroxy-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 3236460) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is benzyl 4-hydroxy-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-hydroxy-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID3236460
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namebenzyl 4-hydroxy-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCc1cccc(NC(=O)C2CC(O)CN2C(=O)OCc2ccccc2)c1
InChIInChI=1S/C20H22N2O4/c1-14-6-5-9-16(10-14)21-19(24)18-11-17(23)12-22(18)20(25)26-13-15-7-3-2-4-8-15/h2-10,17-18,23H,11-13H2,1H3,(H,21,24)
InChIKeyDJPVFQBIPITYOI-UHFFFAOYSA-N
XLogP2.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl 4-hydroxy-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-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

Benzyl 2-[(2,4-dimethylanilino)carbonyl]-4-hydroxy-1-pyrrolidinecarboxylate
CID 563102
Benzyl 2-[(3,4-dimethylanilino)carbonyl]-4-hydroxy-1-pyrrolidinecarboxylate
CID 3581221
Benzyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3431168
benzyl (2S,4S)-2-[[4-[(E)-2-[4-[[(2S,4S)-1-benzyloxycarbonyl-4-methoxy-pyrrolidine-2-carbonyl]amino]phenyl]vinyl]phenyl]carbamoyl]-4-methoxy-pyrrolidine-1-carboxylate
CID 15979144
benzyl (2S,4R)-2-[[4-[(E)-2-[4-[[(2S,4R)-1-benzyloxycarbonyl-4-ethoxy-pyrrolidine-2-carbonyl]amino]phenyl]vinyl]phenyl]carbamoyl]-4-ethoxy-pyrrolidine-1-carboxylate
CID 15979145
benzyl (2S,4R)-2-[[4-[(E)-2-[4-[[(2S,4R)-1-benzyloxycarbonyl-4-methoxy-pyrrolidine-2-carbonyl]amino]phenyl]vinyl]phenyl]carbamoyl]-4-methoxy-pyrrolidine-1-carboxylate
CID 15979146
benzyl (2S,4S)-2-[[4-[(E)-2-[4-[[(2S,4S)-1-benzyloxycarbonyl-4-ethoxy-pyrrolidine-2-carbonyl]amino]phenyl]vinyl]phenyl]carbamoyl]-4-ethoxy-pyrrolidine-1-carboxylate
CID 15979147
benzyl (2S,4R)-2-[[4-[(E)-2-[4-[[(2S,4R)-1-benzyloxycarbonyl-4-hydroxy-pyrrolidine-2-carbonyl]amino]phenyl]vinyl]phenyl]carbamoyl]-4-hydroxy-pyrrolidine-1-carboxylate
CID 15980716
benzyl (2S,4S)-4-hydroxy-2-[[4-[(E)-2-[4-[[(2S,4S)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 58768611
Phenyl 2-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 590107
Benzyl 2-[(2,4-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 4234707
Benzyl 2-[(3-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3243156

Frequently Asked Questions

What is the IUPAC name of benzyl 4-hydroxy-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 4-hydroxy-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 3236460) is benzyl 4-hydroxy-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 4-hydroxy-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 4-hydroxy-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate is Cc1cccc(NC(=O)C2CC(O)CN2C(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl 4-hydroxy-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is DJPVFQBIPITYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-6-5-9-16(10-14)21-19(24)18-11-17(23)12-22(18)20(25)26-13-15-7-3-2-4-8-15/h2-10,17-18,23H,11-13H2,1H3,(H,21,24).
What are the key properties of benzyl 4-hydroxy-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
benzyl 4-hydroxy-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-hydroxy-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 3236460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).