benzyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate

C15H20N2O3 — CID 14804456

IUPACbenzyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C15H20N2O3/c1-12(14(18)17-9-5-6-10-17)16-15(19)20-11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,16,19)/t12-/m0/s1
InChIKeyAMAMXHDDAKIOLG-LBPRGKRZSA-N
MW276.34 g/mol
LogP1.92
Rot. Bonds4

About benzyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate

benzyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate (PubChem CID 14804456) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is benzyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
PubChem CID14804456
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namebenzyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C15H20N2O3/c1-12(14(18)17-9-5-6-10-17)16-15(19)20-11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,16,19)/t12-/m0/s1
InChIKeyAMAMXHDDAKIOLG-LBPRGKRZSA-N
XLogP1.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate (CID 14804456) is benzyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate is C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC1.
What is the InChIKey of benzyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
The InChIKey is AMAMXHDDAKIOLG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-12(14(18)17-9-5-6-10-17)16-15(19)20-11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,16,19)/t12-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
benzyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate has a molecular weight of 276.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate is sourced from PubChem (CID 14804456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).