2-methoxypropylurea

C5H12N2O2 — CID 3037764

IUPAC2-methoxypropylurea
SMILESCOC(C)CNC(N)=O
InChIInChI=1S/C5H12N2O2/c1-4(9-2)3-7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)
InChIKeyKGJLSJJEKOSBCO-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.31
Rot. Bonds3

About 2-methoxypropylurea

2-methoxypropylurea (PubChem CID 3037764) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-methoxypropylurea.

Molecular Properties

Compound Name2-methoxypropylurea
PubChem CID3037764
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name2-methoxypropylurea
SMILESCOC(C)CNC(N)=O
InChIInChI=1S/C5H12N2O2/c1-4(9-2)3-7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)
InChIKeyKGJLSJJEKOSBCO-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

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Related Compounds

Chlormerodrin
CID 25210
(2-Methoxyethyl)urea
CID 186068
(1-Methoxypropan-2-yl)urea
CID 3684317
[3-(Carbamoylamino)-2-methoxypropyl]mercury(1+) chloride
CID 6110
(2-Ethoxyethyl)urea
CID 22179647
CID 2716
CID 2716
Urea, N,N'-bis(2-methoxyethyl)-
CID 81288
Chlormerodrin Hg-197
CID 91667977
Chlormerodrin Hg-203
CID 193986
N-(2-Hydroxypropyl)urea
CID 11528340
N-(3-methoxypropyl)urea
CID 2064040
[3-(Propan-2-yloxy)propyl]urea
CID 2103930

Frequently Asked Questions

What is the IUPAC name of 2-methoxypropylurea?
The IUPAC name of 2-methoxypropylurea (CID 3037764) is 2-methoxypropylurea.
What is the SMILES notation for 2-methoxypropylurea?
The canonical SMILES for 2-methoxypropylurea is COC(C)CNC(N)=O.
What is the InChIKey of 2-methoxypropylurea?
The InChIKey is KGJLSJJEKOSBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-4(9-2)3-7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8).
What are the key properties of 2-methoxypropylurea?
2-methoxypropylurea 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 2-methoxypropylurea is sourced from PubChem (CID 3037764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).