1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea

C8H16N2O2 — CID 78998355

IUPAC1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea
SMILESCC(CCO)NC(=O)NC1CC1
InChIInChI=1S/C8H16N2O2/c1-6(4-5-11)9-8(12)10-7-2-3-7/h6-7,11H,2-5H2,1H3,(H2,9,10,12)
InChIKeyXIAICRQIAQTHFT-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.22
Rot. Bonds4

About 1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea

1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea (PubChem CID 78998355) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea
PubChem CID78998355
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea
SMILESCC(CCO)NC(=O)NC1CC1
InChIInChI=1S/C8H16N2O2/c1-6(4-5-11)9-8(12)10-7-2-3-7/h6-7,11H,2-5H2,1H3,(H2,9,10,12)
InChIKeyXIAICRQIAQTHFT-UHFFFAOYSA-N
XLogP0.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 62950697
1-(4-aminobutan-2-yl)-3-cyclopropylurea
CID 62698349
1-butan-2-yl-3-cyclopropylurea
CID 45366532
1-(1-cyanopropan-2-yl)-3-cyclopropylurea
CID 62699301
1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 115579826
1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 79256331
1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
CID 127009415
1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 115643204
1-(4-aminopentan-2-yl)-3-cyclobutylurea
CID 116658905
N-cyclopropyl-2-(cyclopropylcarbamoylamino)propanamide
CID 116657682
1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115640204
3-[(4-ethylcyclohexyl)carbamoylamino]butanoic acid
CID 54955248

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea?
The IUPAC name of 1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea (CID 78998355) is 1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea is CC(CCO)NC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea?
The InChIKey is XIAICRQIAQTHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(4-5-11)9-8(12)10-7-2-3-7/h6-7,11H,2-5H2,1H3,(H2,9,10,12).
What are the key properties of 1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea?
1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea has a molecular weight of 172.23 g/mol, XLogP of 0.22, 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-hydroxybutan-2-yl)urea is sourced from PubChem (CID 78998355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).