benzyl N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate

C19H20N2O3 — CID 164753968

IUPACbenzyl N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate
SMILESCc1ccccc1C1NC(=O)C[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C19H20N2O3/c1-13-7-5-6-10-15(13)18-16(11-17(22)21-18)20-19(23)24-12-14-8-3-2-4-9-14/h2-10,16,18H,11-12H2,1H3,(H,20,23)(H,21,22)/t16-,18?/m0/s1
InChIKeyFWEJEAWFAOUPSD-ATNAJCNCSA-N
MW324.38 g/mol
LogP2.85
Rot. Bonds4

About benzyl N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate

benzyl N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate (PubChem CID 164753968) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is benzyl N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate
PubChem CID164753968
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namebenzyl N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate
SMILESCc1ccccc1C1NC(=O)C[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C19H20N2O3/c1-13-7-5-6-10-15(13)18-16(11-17(22)21-18)20-19(23)24-12-14-8-3-2-4-9-14/h2-10,16,18H,11-12H2,1H3,(H,20,23)(H,21,22)/t16-,18?/m0/s1
InChIKeyFWEJEAWFAOUPSD-ATNAJCNCSA-N
XLogP2.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2R)-2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 138725392
2,2-difluoro-N-[(2S,3R)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 138687350
benzyl N-[(1S)-4-oxo-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 68602701
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 143231679
benzyl N-[(2S)-2-formylcyclohexyl]carbamate
CID 89323392
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate
CID 97357162
benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate
CID 144785907
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate
CID 59735018

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate (CID 164753968) is benzyl N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate is Cc1ccccc1C1NC(=O)C[C@@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate?
The InChIKey is FWEJEAWFAOUPSD-ATNAJCNCSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-7-5-6-10-15(13)18-16(11-17(22)21-18)20-19(23)24-12-14-8-3-2-4-9-14/h2-10,16,18H,11-12H2,1H3,(H,20,23)(H,21,22)/t16-,18?/m0/s1.
What are the key properties of benzyl N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate?
benzyl N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate has a molecular weight of 324.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 164753968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).