phenyl 2-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate

C20H22N2O4 — CID 590107

IUPACphenyl 2-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
SMILESCc1ccc(C)c(NC(=O)C2CC(O)CN2C(=O)Oc2ccccc2)c1
InChIInChI=1S/C20H22N2O4/c1-13-8-9-14(2)17(10-13)21-19(24)18-11-15(23)12-22(18)20(25)26-16-6-4-3-5-7-16/h3-10,15,18,23H,11-12H2,1-2H3,(H,21,24)
InChIKeyRTELDWWAFAFRQZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.88
Rot. Bonds3

About phenyl 2-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate

phenyl 2-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 590107) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is phenyl 2-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
PubChem CID590107
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namephenyl 2-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
SMILESCc1ccc(C)c(NC(=O)C2CC(O)CN2C(=O)Oc2ccccc2)c1
InChIInChI=1S/C20H22N2O4/c1-13-8-9-14(2)17(10-13)21-19(24)18-11-15(23)12-22(18)20(25)26-16-6-4-3-5-7-16/h3-10,15,18,23H,11-12H2,1-2H3,(H,21,24)
InChIKeyRTELDWWAFAFRQZ-UHFFFAOYSA-N
XLogP2.88
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyl 2-[(2,4-dimethylanilino)carbonyl]-4-hydroxy-1-pyrrolidinecarboxylate
CID 563102
Phenyl 2-[(2,4-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3112482
Benzyl 2-[(3,4-dimethylanilino)carbonyl]-4-hydroxy-1-pyrrolidinecarboxylate
CID 3581221
2-m-Tolylcarbamoyl-pyrrolidine-1-carboxylic acid phenyl ester
CID 551117
2-p-Tolylcarbamoyl-pyrrolidine-1-carboxylic acid phenyl ester
CID 655757
2-(2,3-Dimethyl-phenylcarbamoyl)-pyrrolidine-1-carboxylic acid phenyl ester
CID 2876379
2-(3,4-Dimethyl-phenylcarbamoyl)-pyrrolidine-1-carboxylic acid phenyl ester
CID 3112481
2-(4-Bromo-phenylcarbamoyl)-4-hydroxy-pyrrolidine-1-carboxylic acid phenyl ester
CID 3112485
Benzyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3236900
Benzyl 2-[(2-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3243825
Benzyl 2-[(2-hydroxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 4087656
N-((S)-1-(((S)-2-hydroxy-1-phenylethyl)amino)-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 16405097

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of phenyl 2-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate (CID 590107) is phenyl 2-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl 2-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for phenyl 2-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate is Cc1ccc(C)c(NC(=O)C2CC(O)CN2C(=O)Oc2ccccc2)c1.
What is the InChIKey of phenyl 2-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is RTELDWWAFAFRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13-8-9-14(2)17(10-13)21-19(24)18-11-15(23)12-22(18)20(25)26-16-6-4-3-5-7-16/h3-10,15,18,23H,11-12H2,1-2H3,(H,21,24).
What are the key properties of phenyl 2-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate?
phenyl 2-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 590107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).