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

C14H27N3O2 — CID 107252054

IUPACtert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(NC1CNC1)C1CC1
InChIInChI=1S/C14H27N3O2/c1-13(2,3)19-12(18)16-9-14(4,10-5-6-10)17-11-7-15-8-11/h10-11,15,17H,5-9H2,1-4H3,(H,16,18)
InChIKeyHSWPRZLYAKBJRX-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.24
Rot. Bonds5

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

tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate (PubChem CID 107252054) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate
PubChem CID107252054
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Nametert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(NC1CNC1)C1CC1
InChIInChI=1S/C14H27N3O2/c1-13(2,3)19-12(18)16-9-14(4,10-5-6-10)17-11-7-15-8-11/h10-11,15,17H,5-9H2,1-4H3,(H,16,18)
InChIKeyHSWPRZLYAKBJRX-UHFFFAOYSA-N
XLogP1.24
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate
CID 107249245
tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate
CID 103790504
tert-butyl N-[2-cyclopropyl-2-(ethylamino)propyl]carbamate
CID 103790492
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
CID 107241432
tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate
CID 103761015
tert-butyl N-[2-cyclopropyl-2-(pentylamino)propyl]carbamate
CID 103790497
tert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate
CID 107252066
tert-butyl N-[2-cyclopropyl-2-(heptylamino)propyl]carbamate
CID 107252058
tert-butyl N-[2-cyclopropyl-2-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate
CID 107252063
tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate
CID 154577118
tert-butyl N-[4-(azetidin-3-ylamino)butan-2-yl]carbamate
CID 107247078
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate (CID 107252054) is tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate is CC(C)(C)OC(=O)NCC(C)(NC1CNC1)C1CC1.
What is the InChIKey of tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate?
The InChIKey is HSWPRZLYAKBJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-13(2,3)19-12(18)16-9-14(4,10-5-6-10)17-11-7-15-8-11/h10-11,15,17H,5-9H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate?
tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate has a molecular weight of 269.39 g/mol, XLogP of 1.24, 5 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-cyclopropylpropyl]carbamate is sourced from PubChem (CID 107252054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).