1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea

C9H18N2O2 — CID 115643204

IUPAC1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea
SMILESCC(CO)C(C)NC(=O)NC1CC1
InChIInChI=1S/C9H18N2O2/c1-6(5-12)7(2)10-9(13)11-8-3-4-8/h6-8,12H,3-5H2,1-2H3,(H2,10,11,13)
InChIKeyVZCGRTXXXXVFQN-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.46
Rot. Bonds4

About 1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea

1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea (PubChem CID 115643204) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea
PubChem CID115643204
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea
SMILESCC(CO)C(C)NC(=O)NC1CC1
InChIInChI=1S/C9H18N2O2/c1-6(5-12)7(2)10-9(13)11-8-3-4-8/h6-8,12H,3-5H2,1-2H3,(H2,10,11,13)
InChIKeyVZCGRTXXXXVFQN-UHFFFAOYSA-N
XLogP0.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 62950697
1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 79256331
1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea
CID 111455212
1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea
CID 78998355
1-butan-2-yl-3-cyclopropylurea
CID 45366532
N-cyclopropyl-2-(cyclopropylcarbamoylamino)propanamide
CID 116657682
1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111840883
1-(4-aminobutan-2-yl)-3-cyclopropylurea
CID 62698349
4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122005026
1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 79255042
1-(1-cyclobutylethyl)-3-cyclopropylurea
CID 115766433
1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 115730778

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The IUPAC name of 1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea (CID 115643204) is 1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The canonical SMILES for 1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea is CC(CO)C(C)NC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The InChIKey is VZCGRTXXXXVFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(5-12)7(2)10-9(13)11-8-3-4-8/h6-8,12H,3-5H2,1-2H3,(H2,10,11,13).
What are the key properties of 1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea?
1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea has a molecular weight of 186.25 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea is sourced from PubChem (CID 115643204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).