methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate

C11H18N2O3 — CID 126658283

IUPACmethyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1CCCC1)C1CC1
InChIInChI=1S/C11H18N2O3/c1-16-11(15)12-9(8-4-5-8)10(14)13-6-2-3-7-13/h8-9H,2-7H2,1H3,(H,12,15)/t9-/m0/s1
InChIKeyHZZSUBQSYCIWDK-VIFPVBQESA-N
MW226.28 g/mol
LogP0.74
Rot. Bonds3

About methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate

methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate (PubChem CID 126658283) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
PubChem CID126658283
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namemethyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1CCCC1)C1CC1
InChIInChI=1S/C11H18N2O3/c1-16-11(15)12-9(8-4-5-8)10(14)13-6-2-3-7-13/h8-9H,2-7H2,1H3,(H,12,15)/t9-/m0/s1
InChIKeyHZZSUBQSYCIWDK-VIFPVBQESA-N
XLogP0.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate?
The IUPAC name of methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate (CID 126658283) is methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate.
What is the SMILES notation for methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate?
The canonical SMILES for methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate is COC(=O)N[C@H](C(=O)N1CCCC1)C1CC1.
What is the InChIKey of methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate?
The InChIKey is HZZSUBQSYCIWDK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O3/c1-16-11(15)12-9(8-4-5-8)10(14)13-6-2-3-7-13/h8-9H,2-7H2,1H3,(H,12,15)/t9-/m0/s1.
What are the key properties of methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate?
methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate has a molecular weight of 226.28 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate is sourced from PubChem (CID 126658283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).