phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate

C14H18N2O3 — CID 61069095

IUPACphenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
SMILESCC(CN1CCCC1=O)NC(=O)Oc1ccccc1
InChIInChI=1S/C14H18N2O3/c1-11(10-16-9-5-8-13(16)17)15-14(18)19-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,15,18)
InChIKeyGNWQSRWTNSHXEN-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.79
Rot. Bonds4

About phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate

phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate (PubChem CID 61069095) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
PubChem CID61069095
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namephenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
SMILESCC(CN1CCCC1=O)NC(=O)Oc1ccccc1
InChIInChI=1S/C14H18N2O3/c1-11(10-16-9-5-8-13(16)17)15-14(18)19-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,15,18)
InChIKeyGNWQSRWTNSHXEN-UHFFFAOYSA-N
XLogP1.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574
(2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119298734
6-oxo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyridine-2-carboxamide
CID 107362990
1-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(2-phenylethoxy)phenyl]urea
CID 52512018
1-[2-(N-methylanilino)phenyl]-3-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 51963077
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 61062526
2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 61117076
2-(cyclopropylamino)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]acetamide
CID 54863219
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957992
2-amino-N-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]acetamide
CID 54863279
4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60928640
2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 115286494

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate?
The IUPAC name of phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate (CID 61069095) is phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate?
The canonical SMILES for phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate is CC(CN1CCCC1=O)NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate?
The InChIKey is GNWQSRWTNSHXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-11(10-16-9-5-8-13(16)17)15-14(18)19-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,15,18).
What are the key properties of phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate?
phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate has a molecular weight of 262.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate is sourced from PubChem (CID 61069095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).