2-[2-oxo-3-(phenylcarbamoylamino)pyrrolidin-1-yl]acetamide

C13H16N4O3 — CID 141007629

IUPAC2-[2-oxo-3-(phenylcarbamoylamino)pyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NC(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C13H16N4O3/c14-11(18)8-17-7-6-10(12(17)19)16-13(20)15-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,18)(H2,15,16,20)
InChIKeyGVHPNDQLHFIRDB-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.11
Rot. Bonds4

About 2-[2-oxo-3-(phenylcarbamoylamino)pyrrolidin-1-yl]acetamide

2-[2-oxo-3-(phenylcarbamoylamino)pyrrolidin-1-yl]acetamide (PubChem CID 141007629) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[2-oxo-3-(phenylcarbamoylamino)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-3-(phenylcarbamoylamino)pyrrolidin-1-yl]acetamide
PubChem CID141007629
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-[2-oxo-3-(phenylcarbamoylamino)pyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NC(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C13H16N4O3/c14-11(18)8-17-7-6-10(12(17)19)16-13(20)15-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,18)(H2,15,16,20)
InChIKeyGVHPNDQLHFIRDB-UHFFFAOYSA-N
XLogP-0.11
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]acetamide
CID 3069835
4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258149
1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 124623266
1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea
CID 125138278
1-(2-amino-2-oxoethyl)-N-phenylpiperidine-4-carboxamide
CID 9134210
1-[3-(aminomethyl)phenyl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 106257725
1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea
CID 119049842
1-[(3S)-2-oxothiolan-3-yl]-3-phenylurea
CID 40598347
1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea
CID 166208852
2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977235
1-[1-[[3-(carbamoylamino)phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-phenylurea
CID 10718106
(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide
CID 119308609

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(phenylcarbamoylamino)pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[2-oxo-3-(phenylcarbamoylamino)pyrrolidin-1-yl]acetamide (CID 141007629) is 2-[2-oxo-3-(phenylcarbamoylamino)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[2-oxo-3-(phenylcarbamoylamino)pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[2-oxo-3-(phenylcarbamoylamino)pyrrolidin-1-yl]acetamide is NC(=O)CN1CCC(NC(=O)Nc2ccccc2)C1=O.
What is the InChIKey of 2-[2-oxo-3-(phenylcarbamoylamino)pyrrolidin-1-yl]acetamide?
The InChIKey is GVHPNDQLHFIRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c14-11(18)8-17-7-6-10(12(17)19)16-13(20)15-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,18)(H2,15,16,20).
What are the key properties of 2-[2-oxo-3-(phenylcarbamoylamino)pyrrolidin-1-yl]acetamide?
2-[2-oxo-3-(phenylcarbamoylamino)pyrrolidin-1-yl]acetamide has a molecular weight of 276.30 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(phenylcarbamoylamino)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 141007629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).