1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(oxan-3-yl)ethyl]urea

C14H24N2O3 — CID 127785789

IUPAC1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(oxan-3-yl)ethyl]urea
SMILESCC(NC(=O)N[C@@H]1C=C[C@H](CO)C1)C1CCCOC1
InChIInChI=1S/C14H24N2O3/c1-10(12-3-2-6-19-9-12)15-14(18)16-13-5-4-11(7-13)8-17/h4-5,10-13,17H,2-3,6-9H2,1H3,(H2,15,16,18)/t10?,11-,12?,13+/m0/s1
InChIKeyIVZUUZWSTCFBOX-PYNQCMFNSA-N
MW268.36 g/mol
LogP1.04
Rot. Bonds4

About 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(oxan-3-yl)ethyl]urea

1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(oxan-3-yl)ethyl]urea (PubChem CID 127785789) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(oxan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(oxan-3-yl)ethyl]urea
PubChem CID127785789
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(oxan-3-yl)ethyl]urea
SMILESCC(NC(=O)N[C@@H]1C=C[C@H](CO)C1)C1CCCOC1
InChIInChI=1S/C14H24N2O3/c1-10(12-3-2-6-19-9-12)15-14(18)16-13-5-4-11(7-13)8-17/h4-5,10-13,17H,2-3,6-9H2,1H3,(H2,15,16,18)/t10?,11-,12?,13+/m0/s1
InChIKeyIVZUUZWSTCFBOX-PYNQCMFNSA-N
XLogP1.04
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[cyclohexyl(phenyl)methyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111630645
1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71980792
[(1R,4S)-4-[1-(oxan-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol
CID 103874732
[(1R,4S)-4-[1-(oxolan-3-yl)propylamino]cyclopent-2-en-1-yl]methanol
CID 103874731
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-4-ylethyl)urea
CID 111630344
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111630565
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea
CID 124508146
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(2-methylphenyl)ethyl]urea
CID 111630257
1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea
CID 115758248
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-phenylphenyl)ethyl]urea
CID 111630345
1-[1-(4-chlorophenyl)-3-methylbutyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111631154
2-amino-N-[1-(oxolan-3-yl)ethyl]acetamide
CID 115734721

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(oxan-3-yl)ethyl]urea?
The IUPAC name of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(oxan-3-yl)ethyl]urea (CID 127785789) is 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(oxan-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(oxan-3-yl)ethyl]urea?
The canonical SMILES for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(oxan-3-yl)ethyl]urea is CC(NC(=O)N[C@@H]1C=C[C@H](CO)C1)C1CCCOC1.
What is the InChIKey of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(oxan-3-yl)ethyl]urea?
The InChIKey is IVZUUZWSTCFBOX-PYNQCMFNSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(12-3-2-6-19-9-12)15-14(18)16-13-5-4-11(7-13)8-17/h4-5,10-13,17H,2-3,6-9H2,1H3,(H2,15,16,18)/t10?,11-,12?,13+/m0/s1.
What are the key properties of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(oxan-3-yl)ethyl]urea?
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(oxan-3-yl)ethyl]urea has a molecular weight of 268.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(oxan-3-yl)ethyl]urea is sourced from PubChem (CID 127785789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).