2-oxopyrrolidine-1-carboxylic acid;urea

C6H11N3O4 — CID 158320427

IUPAC2-oxopyrrolidine-1-carboxylic acid;urea
SMILESNC(N)=O.O=C(O)N1CCCC1=O
InChIInChI=1S/C5H7NO3.CH4N2O/c7-4-2-1-3-6(4)5(8)9;2-1(3)4/h1-3H2,(H,8,9);(H4,2,3,4)
InChIKeyGOTXEIPUKWSBDJ-UHFFFAOYSA-N
MW189.17 g/mol
LogP-0.69
Rot. Bonds

About 2-oxopyrrolidine-1-carboxylic acid;urea

2-oxopyrrolidine-1-carboxylic acid;urea (PubChem CID 158320427) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-oxopyrrolidine-1-carboxylic acid;urea.

Molecular Properties

Compound Name2-oxopyrrolidine-1-carboxylic acid;urea
PubChem CID158320427
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name2-oxopyrrolidine-1-carboxylic acid;urea
SMILESNC(N)=O.O=C(O)N1CCCC1=O
InChIInChI=1S/C5H7NO3.CH4N2O/c7-4-2-1-3-6(4)5(8)9;2-1(3)4/h1-3H2,(H,8,9);(H4,2,3,4)
InChIKeyGOTXEIPUKWSBDJ-UHFFFAOYSA-N
XLogP-0.69
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxopyrrolidine-1-carboxylic acid;zinc
CID 174972169
1-(1-aminoethenyl)pyrrolidin-2-one
CID 18740015
azepan-2-one;2-oxopyrrolidine-1-carboxylic acid
CID 175269631
3-oxo-3-(2-oxopyrrolidin-1-yl)propanamide
CID 174751392
1-(2-aminoacetyl)pyrrolidin-2-one
CID 55208573
zinc bis(2-oxopyrrolidine-1-carboxylate)
CID 22183105
potassium 2-oxopyrrolidine-1-carboxylate
CID 23675141
1-methylpyrrolidin-2-one;urea
CID 141281161
1-(2-oxopiperidine-1-carbonyl)piperidin-2-one
CID 18425054
sodium;2-oxopyrrolidine-1-carboxylate;hydrate
CID 139621831
3-methyl-2-(2-oxopyrrolidin-1-yl)but-2-enoic acid
CID 68816336
(3S)-3-amino-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid
CID 90168526

Frequently Asked Questions

What is the IUPAC name of 2-oxopyrrolidine-1-carboxylic acid;urea?
The IUPAC name of 2-oxopyrrolidine-1-carboxylic acid;urea (CID 158320427) is 2-oxopyrrolidine-1-carboxylic acid;urea.
What is the SMILES notation for 2-oxopyrrolidine-1-carboxylic acid;urea?
The canonical SMILES for 2-oxopyrrolidine-1-carboxylic acid;urea is NC(N)=O.O=C(O)N1CCCC1=O.
What is the InChIKey of 2-oxopyrrolidine-1-carboxylic acid;urea?
The InChIKey is GOTXEIPUKWSBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3.CH4N2O/c7-4-2-1-3-6(4)5(8)9;2-1(3)4/h1-3H2,(H,8,9);(H4,2,3,4).
What are the key properties of 2-oxopyrrolidine-1-carboxylic acid;urea?
2-oxopyrrolidine-1-carboxylic acid;urea has a molecular weight of 189.17 g/mol, XLogP of -0.69, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopyrrolidine-1-carboxylic acid;urea is sourced from PubChem (CID 158320427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).