1-(1-methylazetidin-3-yl)-3-(2-methylbutan-2-yl)urea

C10H21N3O — CID 130847964

IUPAC1-(1-methylazetidin-3-yl)-3-(2-methylbutan-2-yl)urea
SMILESCCC(C)(C)NC(=O)NC1CN(C)C1
InChIInChI=1S/C10H21N3O/c1-5-10(2,3)12-9(14)11-8-6-13(4)7-8/h8H,5-7H2,1-4H3,(H2,11,12,14)
InChIKeyASAGKJLWKBSUFQ-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.79
Rot. Bonds3

About 1-(1-methylazetidin-3-yl)-3-(2-methylbutan-2-yl)urea

1-(1-methylazetidin-3-yl)-3-(2-methylbutan-2-yl)urea (PubChem CID 130847964) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(1-methylazetidin-3-yl)-3-(2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(1-methylazetidin-3-yl)-3-(2-methylbutan-2-yl)urea
PubChem CID130847964
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(1-methylazetidin-3-yl)-3-(2-methylbutan-2-yl)urea
SMILESCCC(C)(C)NC(=O)NC1CN(C)C1
InChIInChI=1S/C10H21N3O/c1-5-10(2,3)12-9(14)11-8-6-13(4)7-8/h8H,5-7H2,1-4H3,(H2,11,12,14)
InChIKeyASAGKJLWKBSUFQ-UHFFFAOYSA-N
XLogP0.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 64702434
1-methyl-N-(2-methylbutan-2-yl)azetidin-3-amine
CID 134186239
4-methyl-4-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid
CID 62049456
2-ethyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]butanoic acid
CID 79804310
1-cyclohexyl-3-(3-ethylpentan-3-yl)urea
CID 115660907
2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid
CID 61223431
N-(1-methylazetidin-3-yl)-3-oxobutanamide
CID 131140470
1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea
CID 116658153
3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid
CID 64700127
1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 79493195
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 79411155
1-tert-butyl-3-cyclobutylurea
CID 17217146

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylazetidin-3-yl)-3-(2-methylbutan-2-yl)urea?
The IUPAC name of 1-(1-methylazetidin-3-yl)-3-(2-methylbutan-2-yl)urea (CID 130847964) is 1-(1-methylazetidin-3-yl)-3-(2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(1-methylazetidin-3-yl)-3-(2-methylbutan-2-yl)urea?
The canonical SMILES for 1-(1-methylazetidin-3-yl)-3-(2-methylbutan-2-yl)urea is CCC(C)(C)NC(=O)NC1CN(C)C1.
What is the InChIKey of 1-(1-methylazetidin-3-yl)-3-(2-methylbutan-2-yl)urea?
The InChIKey is ASAGKJLWKBSUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-5-10(2,3)12-9(14)11-8-6-13(4)7-8/h8H,5-7H2,1-4H3,(H2,11,12,14).
What are the key properties of 1-(1-methylazetidin-3-yl)-3-(2-methylbutan-2-yl)urea?
1-(1-methylazetidin-3-yl)-3-(2-methylbutan-2-yl)urea has a molecular weight of 199.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylazetidin-3-yl)-3-(2-methylbutan-2-yl)urea is sourced from PubChem (CID 130847964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).