1-amino-3-(5-oxopyrrolidin-3-yl)urea

C5H10N4O2 — CID 106197369

IUPAC1-amino-3-(5-oxopyrrolidin-3-yl)urea
SMILESNNC(=O)NC1CNC(=O)C1
InChIInChI=1S/C5H10N4O2/c6-9-5(11)8-3-1-4(10)7-2-3/h3H,1-2,6H2,(H,7,10)(H2,8,9,11)
InChIKeyCOWCMDNGBNPQPB-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.95
Rot. Bonds1

About 1-amino-3-(5-oxopyrrolidin-3-yl)urea

1-amino-3-(5-oxopyrrolidin-3-yl)urea (PubChem CID 106197369) has the molecular formula C5H10N4O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is 1-amino-3-(5-oxopyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-amino-3-(5-oxopyrrolidin-3-yl)urea
PubChem CID106197369
Molecular FormulaC5H10N4O2
Molecular Weight158.16 g/mol
Exact Mass158.08
IUPAC Name1-amino-3-(5-oxopyrrolidin-3-yl)urea
SMILESNNC(=O)NC1CNC(=O)C1
InChIInChI=1S/C5H10N4O2/c6-9-5(11)8-3-1-4(10)7-2-3/h3H,1-2,6H2,(H,7,10)(H2,8,9,11)
InChIKeyCOWCMDNGBNPQPB-UHFFFAOYSA-N
XLogP-1.95
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea
CID 130625812
3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106191704
2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 106186093
(2S)-2-amino-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187633
3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide
CID 106192180
(2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192063
2-hydroxy-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192133
4-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106191950
2-methyl-N-(5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 130778358
tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate
CID 71301758
6-oxo-N-(5-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 104580966
2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 130684227

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5-oxopyrrolidin-3-yl)urea?
The IUPAC name of 1-amino-3-(5-oxopyrrolidin-3-yl)urea (CID 106197369) is 1-amino-3-(5-oxopyrrolidin-3-yl)urea.
What is the SMILES notation for 1-amino-3-(5-oxopyrrolidin-3-yl)urea?
The canonical SMILES for 1-amino-3-(5-oxopyrrolidin-3-yl)urea is NNC(=O)NC1CNC(=O)C1.
What is the InChIKey of 1-amino-3-(5-oxopyrrolidin-3-yl)urea?
The InChIKey is COWCMDNGBNPQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2/c6-9-5(11)8-3-1-4(10)7-2-3/h3H,1-2,6H2,(H,7,10)(H2,8,9,11).
What are the key properties of 1-amino-3-(5-oxopyrrolidin-3-yl)urea?
1-amino-3-(5-oxopyrrolidin-3-yl)urea has a molecular weight of 158.16 g/mol, XLogP of -1.95, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5-oxopyrrolidin-3-yl)urea is sourced from PubChem (CID 106197369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).