benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate

C15H18N2O3 — CID 124505476

IUPACbenzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate
SMILESO=C(N[C@H]1CC(=O)N(C2CC2)C1)OCc1ccccc1
InChIInChI=1S/C15H18N2O3/c18-14-8-12(9-17(14)13-6-7-13)16-15(19)20-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,19)/t12-/m0/s1
InChIKeyGEKAVSUFEFVFEH-LBPRGKRZSA-N
MW274.32 g/mol
LogP1.68
Rot. Bonds4

About benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate

benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate (PubChem CID 124505476) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate
PubChem CID124505476
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namebenzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate
SMILESO=C(N[C@H]1CC(=O)N(C2CC2)C1)OCc1ccccc1
InChIInChI=1S/C15H18N2O3/c18-14-8-12(9-17(14)13-6-7-13)16-15(19)20-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,19)/t12-/m0/s1
InChIKeyGEKAVSUFEFVFEH-LBPRGKRZSA-N
XLogP1.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate
CID 110736817
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
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N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 95985193
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea
CID 110747922
benzyl 3-(phenylmethoxycarbonylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171936899
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
CID 56965558
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate
CID 154897684
benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate
CID 112545058
benzyl N-[2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate
CID 69031215
benzyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66566464

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate (CID 124505476) is benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate is O=C(N[C@H]1CC(=O)N(C2CC2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate?
The InChIKey is GEKAVSUFEFVFEH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14-8-12(9-17(14)13-6-7-13)16-15(19)20-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,19)/t12-/m0/s1.
What are the key properties of benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate?
benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate has a molecular weight of 274.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 124505476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).