1-methoxypropan-2-ylurea

C5H12N2O2 — CID 3684317

IUPAC1-methoxypropan-2-ylurea
SMILESCOCC(C)NC(N)=O
InChIInChI=1S/C5H12N2O2/c1-4(3-9-2)7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)
InChIKeyLWKISYQIMODBPM-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.31
Rot. Bonds3

About 1-methoxypropan-2-ylurea

1-methoxypropan-2-ylurea (PubChem CID 3684317) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 1-methoxypropan-2-ylurea.

Molecular Properties

Compound Name1-methoxypropan-2-ylurea
PubChem CID3684317
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name1-methoxypropan-2-ylurea
SMILESCOCC(C)NC(N)=O
InChIInChI=1S/C5H12N2O2/c1-4(3-9-2)7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)
InChIKeyLWKISYQIMODBPM-UHFFFAOYSA-N
XLogP-0.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-methoxypropan-2-ylurea 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

(2-Methoxyethyl)urea
CID 186068
(2-Ethoxyethyl)urea
CID 22179647
Urea, N,N'-bis(2-methoxyethyl)-
CID 81288
1,5-Bis(ureido)-3-oxapentane
CID 20478758
N-(1-Methoxypropan-2-yl)formamide
CID 53860785
N-(2-Methoxypropyl)urea
CID 3037764
1-[2-(Difluoromethoxy)ethyl]-3-propan-2-ylurea
CID 178908832
1-(2,2-Difluoro-2-methoxyethyl)-3-propan-2-ylurea
CID 178909553
1-Ethyl-3-(2-methoxyethyl)urea
CID 4113676
1-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-3-(2-methoxyethyl)urea
CID 1936130
[3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+)
CID 91667978
1-Propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 115582547

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-ylurea?
The IUPAC name of 1-methoxypropan-2-ylurea (CID 3684317) is 1-methoxypropan-2-ylurea.
What is the SMILES notation for 1-methoxypropan-2-ylurea?
The canonical SMILES for 1-methoxypropan-2-ylurea is COCC(C)NC(N)=O.
What is the InChIKey of 1-methoxypropan-2-ylurea?
The InChIKey is LWKISYQIMODBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-4(3-9-2)7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8).
What are the key properties of 1-methoxypropan-2-ylurea?
1-methoxypropan-2-ylurea has a molecular weight of 132.16 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-ylurea is sourced from PubChem (CID 3684317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).