tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate

C13H26N2O2 — CID 154577118

IUPACtert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate
SMILESCC(C)(CNC(=O)OC(C)(C)C)CC1CNC1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-9-13(4,5)6-10-7-14-8-10/h10,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyAMUREVNBTREQBB-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.15
Rot. Bonds4

About tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate

tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate (PubChem CID 154577118) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate
PubChem CID154577118
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate
SMILESCC(C)(CNC(=O)OC(C)(C)C)CC1CNC1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-9-13(4,5)6-10-7-14-8-10/h10,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyAMUREVNBTREQBB-UHFFFAOYSA-N
XLogP2.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate
CID 107249245
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate
CID 97007606
tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056
2,2-bis(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106490227
tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate
CID 139538581
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
CID 107241432
tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate
CID 107252054
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate
CID 107257390
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate (CID 154577118) is tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate is CC(C)(CNC(=O)OC(C)(C)C)CC1CNC1.
What is the InChIKey of tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate?
The InChIKey is AMUREVNBTREQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-9-13(4,5)6-10-7-14-8-10/h10,14H,6-9H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate?
tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate is sourced from PubChem (CID 154577118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).