1-[1-(2-hydroxyethyl)cyclobutyl]-3-[[(2R)-oxolan-2-yl]methyl]urea

C12H22N2O3 — CID 96538281

IUPAC1-[1-(2-hydroxyethyl)cyclobutyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(NC[C@H]1CCCO1)NC1(CCO)CCC1
InChIInChI=1S/C12H22N2O3/c15-7-6-12(4-2-5-12)14-11(16)13-9-10-3-1-8-17-10/h10,15H,1-9H2,(H2,13,14,16)/t10-/m1/s1
InChIKeyZGIRZCRIZXWJLL-SNVBAGLBSA-N
MW242.32 g/mol
LogP0.77
Rot. Bonds5

About 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[[(2R)-oxolan-2-yl]methyl]urea

1-[1-(2-hydroxyethyl)cyclobutyl]-3-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 96538281) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)cyclobutyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID96538281
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[1-(2-hydroxyethyl)cyclobutyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(NC[C@H]1CCCO1)NC1(CCO)CCC1
InChIInChI=1S/C12H22N2O3/c15-7-6-12(4-2-5-12)14-11(16)13-9-10-3-1-8-17-10/h10,15H,1-9H2,(H2,13,14,16)/t10-/m1/s1
InChIKeyZGIRZCRIZXWJLL-SNVBAGLBSA-N
XLogP0.77
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[[(2R)-oxolan-2-yl]methyl]urea with MolForge

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Related Compounds

1-(oxan-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162688
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
1-amino-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60867408
1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129365048
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea
CID 110676481
N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide
CID 7079712
1-[1-(4-aminophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea
CID 110490951
1-cyclohexyl-3-(oxolan-2-ylmethyl)urea
CID 2886315
1-cyclooctyl-3-(oxolan-2-ylmethyl)urea
CID 75865148
1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 80598955
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[[(2R)-oxolan-2-yl]methyl]urea (CID 96538281) is 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[[(2R)-oxolan-2-yl]methyl]urea is O=C(NC[C@H]1CCCO1)NC1(CCO)CCC1.
What is the InChIKey of 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is ZGIRZCRIZXWJLL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O3/c15-7-6-12(4-2-5-12)14-11(16)13-9-10-3-1-8-17-10/h10,15H,1-9H2,(H2,13,14,16)/t10-/m1/s1.
What are the key properties of 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
1-[1-(2-hydroxyethyl)cyclobutyl]-3-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 242.32 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 96538281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).