1-hydroxy-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea

C14H19N3O3 — CID 5273842

IUPAC1-hydroxy-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea
SMILESO=C(NO)NC(Cc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C14H19N3O3/c18-13(17-8-4-5-9-17)12(15-14(19)16-20)10-11-6-2-1-3-7-11/h1-3,6-7,12,20H,4-5,8-10H2,(H2,15,16,19)
InChIKeyOSIDISSVLNZUSM-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.91
Rot. Bonds4

About 1-hydroxy-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea

1-hydroxy-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea (PubChem CID 5273842) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-hydroxy-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-hydroxy-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea
PubChem CID5273842
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-hydroxy-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea
SMILESO=C(NO)NC(Cc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C14H19N3O3/c18-13(17-8-4-5-9-17)12(15-14(19)16-20)10-11-6-2-1-3-7-11/h1-3,6-7,12,20H,4-5,8-10H2,(H2,15,16,19)
InChIKeyOSIDISSVLNZUSM-UHFFFAOYSA-N
XLogP0.91
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea?
The IUPAC name of 1-hydroxy-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea (CID 5273842) is 1-hydroxy-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-hydroxy-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-hydroxy-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea is O=C(NO)NC(Cc1ccccc1)C(=O)N1CCCC1.
What is the InChIKey of 1-hydroxy-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea?
The InChIKey is OSIDISSVLNZUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(17-8-4-5-9-17)12(15-14(19)16-20)10-11-6-2-1-3-7-11/h1-3,6-7,12,20H,4-5,8-10H2,(H2,15,16,19).
What are the key properties of 1-hydroxy-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea?
1-hydroxy-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea has a molecular weight of 277.32 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea is sourced from PubChem (CID 5273842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).