phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate

C19H20N2O3 — CID 6543354

IUPACphenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Oc2ccccc2)c1
InChIInChI=1S/C19H20N2O3/c1-14-7-5-8-15(13-14)20-18(22)17-11-6-12-21(17)19(23)24-16-9-3-2-4-10-16/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyLUIOTNNQIYSPBS-KRWDZBQOSA-N
MW324.38 g/mol
LogP3.60
Rot. Bonds3

About phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate

phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 6543354) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID6543354
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namephenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Oc2ccccc2)c1
InChIInChI=1S/C19H20N2O3/c1-14-7-5-8-15(13-14)20-18(22)17-11-6-12-21(17)19(23)24-16-9-3-2-4-10-16/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyLUIOTNNQIYSPBS-KRWDZBQOSA-N
XLogP3.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze phenyl (2S)-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

phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 774408
phenyl 2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3127519
phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 655757
tert-butyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2884114
phenyl (2S,4R)-4-hydroxy-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 691779
phenyl (2S)-2-[(2-bromo-4,5-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 126003503
1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 46756185
(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1442935
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 800862
(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 92664894

Frequently Asked Questions

What is the IUPAC name of phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 6543354) is phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate is Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Oc2ccccc2)c1.
What is the InChIKey of phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is LUIOTNNQIYSPBS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14-7-5-8-15(13-14)20-18(22)17-11-6-12-21(17)19(23)24-16-9-3-2-4-10-16/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 6543354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).