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

C12H23N3O2 — CID 107239124

IUPACtert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NC2CNC2)C1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)17-11(16)15-9-4-8(5-9)14-10-6-13-7-10/h8-10,13-14H,4-7H2,1-3H3,(H,15,16)
InChIKeyDADHKVFIJZRDCG-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.60
Rot. Bonds3

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

tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate (PubChem CID 107239124) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate
PubChem CID107239124
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Nametert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NC2CNC2)C1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)17-11(16)15-9-4-8(5-9)14-10-6-13-7-10/h8-10,13-14H,4-7H2,1-3H3,(H,15,16)
InChIKeyDADHKVFIJZRDCG-UHFFFAOYSA-N
XLogP0.60
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid
CID 141220052
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate
CID 103759512
tert-butyl N-[(3S)-5-fluoropiperidin-3-yl]carbamate
CID 129241023
tert-butyl N-[(3S,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate
CID 99646092
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[(3aS,5R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]carbamate
CID 124709566
tert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate
CID 80562358
tert-butyl N-(3,6-dihydroxycyclohept-4-en-1-yl)carbamate
CID 15768172
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 11127248
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate (CID 107239124) is tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(NC2CNC2)C1.
What is the InChIKey of tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate?
The InChIKey is DADHKVFIJZRDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,3)17-11(16)15-9-4-8(5-9)14-10-6-13-7-10/h8-10,13-14H,4-7H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate has a molecular weight of 241.33 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate is sourced from PubChem (CID 107239124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).