1-(azetidin-3-yl)-3-tert-butylurea

C8H17N3O — CID 66186075

IUPAC1-(azetidin-3-yl)-3-tert-butylurea
SMILESCC(C)(C)NC(=O)NC1CNC1
InChIInChI=1S/C8H17N3O/c1-8(2,3)11-7(12)10-6-4-9-5-6/h6,9H,4-5H2,1-3H3,(H2,10,11,12)
InChIKeyOANKVMJJNNLSQL-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.06
Rot. Bonds1

About 1-(azetidin-3-yl)-3-tert-butylurea

1-(azetidin-3-yl)-3-tert-butylurea (PubChem CID 66186075) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-tert-butylurea.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-tert-butylurea
PubChem CID66186075
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-(azetidin-3-yl)-3-tert-butylurea
SMILESCC(C)(C)NC(=O)NC1CNC1
InChIInChI=1S/C8H17N3O/c1-8(2,3)11-7(12)10-6-4-9-5-6/h6,9H,4-5H2,1-3H3,(H2,10,11,12)
InChIKeyOANKVMJJNNLSQL-UHFFFAOYSA-N
XLogP0.06
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(azetidin-3-yl)-3-tert-butylurea 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

1-tert-butyl-3-cyclobutylurea
CID 17217146
N-(azetidin-3-yl)-2,2-dimethylpropanamide
CID 58468718
1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108896891
1-tert-butyl-3-(4-oxocyclohexyl)urea
CID 43652951
1-tert-butyl-3-(4-methylpiperidin-3-yl)urea
CID 63329745
1-tert-butyl-3-(oxolan-3-yl)urea
CID 115755738
1-tert-butyl-3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 95051744
1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 115693464
1-tert-butyl-3-(3-ethoxycyclobutyl)urea
CID 105411107
1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea
CID 110819716
1-[(3R,5S)-1-[(2S)-3-amino-2-methylpropyl]-5-[(azetidin-3-ylmethylamino)methyl]pyrrolidin-3-yl]-3-tert-butylurea
CID 90210444
N-(azetidin-3-yl)-2-tert-butylcyclopropane-1-carboxamide
CID 164661940

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-tert-butylurea?
The IUPAC name of 1-(azetidin-3-yl)-3-tert-butylurea (CID 66186075) is 1-(azetidin-3-yl)-3-tert-butylurea.
What is the SMILES notation for 1-(azetidin-3-yl)-3-tert-butylurea?
The canonical SMILES for 1-(azetidin-3-yl)-3-tert-butylurea is CC(C)(C)NC(=O)NC1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-3-tert-butylurea?
The InChIKey is OANKVMJJNNLSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-8(2,3)11-7(12)10-6-4-9-5-6/h6,9H,4-5H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-(azetidin-3-yl)-3-tert-butylurea?
1-(azetidin-3-yl)-3-tert-butylurea has a molecular weight of 171.24 g/mol, XLogP of 0.06, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-tert-butylurea is sourced from PubChem (CID 66186075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).