1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-phenylurea

C12H15N3O3 — CID 63105110

IUPAC1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-phenylurea
SMILESO=C(NCC(=O)N1CC(O)C1)Nc1ccccc1
InChIInChI=1S/C12H15N3O3/c16-10-7-15(8-10)11(17)6-13-12(18)14-9-4-2-1-3-5-9/h1-5,10,16H,6-8H2,(H2,13,14,18)
InChIKeyPQTRSCOTLDUNNS-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.01
Rot. Bonds3

About 1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-phenylurea

1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-phenylurea (PubChem CID 63105110) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-phenylurea
PubChem CID63105110
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-phenylurea
SMILESO=C(NCC(=O)N1CC(O)C1)Nc1ccccc1
InChIInChI=1S/C12H15N3O3/c16-10-7-15(8-10)11(17)6-13-12(18)14-9-4-2-1-3-5-9/h1-5,10,16H,6-8H2,(H2,13,14,18)
InChIKeyPQTRSCOTLDUNNS-UHFFFAOYSA-N
XLogP0.01
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
CID 24583495
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea
CID 42156451
1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea
CID 154839225
N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 63106764
1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea
CID 66260760
[(2R)-1-[2-(phenylcarbamoylamino)acetyl]pyrrolidin-2-yl]boronic acid
CID 15951641
1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid
CID 119353854
2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid
CID 43170816
3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide
CID 63282500
1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea
CID 37165637
N-[(2S,6S)-6-hydroxy-1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]-N-methyl-2-(phenylcarbamoylamino)acetamide
CID 71220689
1-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3-phenylurea
CID 17476451

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-phenylurea?
The IUPAC name of 1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-phenylurea (CID 63105110) is 1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-phenylurea is O=C(NCC(=O)N1CC(O)C1)Nc1ccccc1.
What is the InChIKey of 1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-phenylurea?
The InChIKey is PQTRSCOTLDUNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-10-7-15(8-10)11(17)6-13-12(18)14-9-4-2-1-3-5-9/h1-5,10,16H,6-8H2,(H2,13,14,18).
What are the key properties of 1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-phenylurea?
1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-phenylurea has a molecular weight of 249.27 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-phenylurea is sourced from PubChem (CID 63105110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).