(5-hydroxy-3-methylpentyl)urea

C7H16N2O2 — CID 174601244

IUPAC(5-hydroxy-3-methylpentyl)urea
SMILESCC(CCO)CCNC(N)=O
InChIInChI=1S/C7H16N2O2/c1-6(3-5-10)2-4-9-7(8)11/h6,10H,2-5H2,1H3,(H3,8,9,11)
InChIKeyKTQQUQBLPATSSZ-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.06
Rot. Bonds5

About (5-hydroxy-3-methylpentyl)urea

(5-hydroxy-3-methylpentyl)urea (PubChem CID 174601244) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (5-hydroxy-3-methylpentyl)urea.

Molecular Properties

Compound Name(5-hydroxy-3-methylpentyl)urea
PubChem CID174601244
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(5-hydroxy-3-methylpentyl)urea
SMILESCC(CCO)CCNC(N)=O
InChIInChI=1S/C7H16N2O2/c1-6(3-5-10)2-4-9-7(8)11/h6,10H,2-5H2,1H3,(H3,8,9,11)
InChIKeyKTQQUQBLPATSSZ-UHFFFAOYSA-N
XLogP0.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-methylpentyl)urea?
The IUPAC name of (5-hydroxy-3-methylpentyl)urea (CID 174601244) is (5-hydroxy-3-methylpentyl)urea.
What is the SMILES notation for (5-hydroxy-3-methylpentyl)urea?
The canonical SMILES for (5-hydroxy-3-methylpentyl)urea is CC(CCO)CCNC(N)=O.
What is the InChIKey of (5-hydroxy-3-methylpentyl)urea?
The InChIKey is KTQQUQBLPATSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-6(3-5-10)2-4-9-7(8)11/h6,10H,2-5H2,1H3,(H3,8,9,11).
What are the key properties of (5-hydroxy-3-methylpentyl)urea?
(5-hydroxy-3-methylpentyl)urea has a molecular weight of 160.22 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-methylpentyl)urea is sourced from PubChem (CID 174601244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).