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

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Related Compounds

methyl N-[1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
CID 123788721
methyl N-[1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 68574299
ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate
CID 143630049
methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate
CID 58449518
methyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate
CID 118066650
methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate
CID 141363764
tert-butyl N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]carbamate
CID 67772156
2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid
CID 90299426
methyl N-[(1S)-1-cyclopropyl-3-methylsulfanyl-2-oxobutyl]carbamate
CID 158475733
methyl N-[(1S)-2-(2-tert-butylpyrrolidin-1-yl)-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 163669024
tert-butyl N-[1-cyclobutyl-2-(2-ethyl-1,4-oxazepan-4-yl)-2-oxoethyl]carbamate
CID 154760750
methyl N-[(1R)-2-[(3R)-3-[[4-[4-[[(3S)-1-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]pyrrolidine-3-carbonyl]amino]phenyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 51036263

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).