tert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate

C12H25N3O2 — CID 107249245

IUPACtert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate
SMILESCC(C)(CNC(=O)OC(C)(C)C)NC1CNC1
InChIInChI=1S/C12H25N3O2/c1-11(2,3)17-10(16)14-8-12(4,5)15-9-6-13-7-9/h9,13,15H,6-8H2,1-5H3,(H,14,16)
InChIKeyLPSIQLYORIBVEH-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.85
Rot. Bonds4

About tert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate

tert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate (PubChem CID 107249245) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate
PubChem CID107249245
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Nametert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate
SMILESCC(C)(CNC(=O)OC(C)(C)C)NC1CNC1
InChIInChI=1S/C12H25N3O2/c1-11(2,3)17-10(16)14-8-12(4,5)15-9-6-13-7-9/h9,13,15H,6-8H2,1-5H3,(H,14,16)
InChIKeyLPSIQLYORIBVEH-UHFFFAOYSA-N
XLogP0.85
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate 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

tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate
CID 107252054
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
CID 107241432
tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate
CID 154577118
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[4-(azetidin-3-ylamino)butan-2-yl]carbamate
CID 107247078
tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate
CID 107257366
tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate
CID 107257390
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate
CID 104953969
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate
CID 107253812
3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 50986491

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate (CID 107249245) is tert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate is CC(C)(CNC(=O)OC(C)(C)C)NC1CNC1.
What is the InChIKey of tert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate?
The InChIKey is LPSIQLYORIBVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-11(2,3)17-10(16)14-8-12(4,5)15-9-6-13-7-9/h9,13,15H,6-8H2,1-5H3,(H,14,16).
What are the key properties of tert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate?
tert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate has a molecular weight of 243.35 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate is sourced from PubChem (CID 107249245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).