[1-(azetidin-3-yl)-3,3-dimethylbutan-2-yl] carbamate

C10H20N2O2 — CID 129314664

IUPAC[1-(azetidin-3-yl)-3,3-dimethylbutan-2-yl] carbamate
SMILESCC(C)(C)C(CC1CNC1)OC(N)=O
InChIInChI=1S/C10H20N2O2/c1-10(2,3)8(14-9(11)13)4-7-5-12-6-7/h7-8,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyAJPYCBQWKMJIOM-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.11
Rot. Bonds3

About [1-(azetidin-3-yl)-3,3-dimethylbutan-2-yl] carbamate

[1-(azetidin-3-yl)-3,3-dimethylbutan-2-yl] carbamate (PubChem CID 129314664) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is [1-(azetidin-3-yl)-3,3-dimethylbutan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(azetidin-3-yl)-3,3-dimethylbutan-2-yl] carbamate
PubChem CID129314664
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name[1-(azetidin-3-yl)-3,3-dimethylbutan-2-yl] carbamate
SMILESCC(C)(C)C(CC1CNC1)OC(N)=O
InChIInChI=1S/C10H20N2O2/c1-10(2,3)8(14-9(11)13)4-7-5-12-6-7/h7-8,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyAJPYCBQWKMJIOM-UHFFFAOYSA-N
XLogP1.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-3-yl)-3,3-dimethylbutan-2-yl] carbamate?
The IUPAC name of [1-(azetidin-3-yl)-3,3-dimethylbutan-2-yl] carbamate (CID 129314664) is [1-(azetidin-3-yl)-3,3-dimethylbutan-2-yl] carbamate.
What is the SMILES notation for [1-(azetidin-3-yl)-3,3-dimethylbutan-2-yl] carbamate?
The canonical SMILES for [1-(azetidin-3-yl)-3,3-dimethylbutan-2-yl] carbamate is CC(C)(C)C(CC1CNC1)OC(N)=O.
What is the InChIKey of [1-(azetidin-3-yl)-3,3-dimethylbutan-2-yl] carbamate?
The InChIKey is AJPYCBQWKMJIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)8(14-9(11)13)4-7-5-12-6-7/h7-8,12H,4-6H2,1-3H3,(H2,11,13).
What are the key properties of [1-(azetidin-3-yl)-3,3-dimethylbutan-2-yl] carbamate?
[1-(azetidin-3-yl)-3,3-dimethylbutan-2-yl] carbamate has a molecular weight of 200.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-3-yl)-3,3-dimethylbutan-2-yl] carbamate is sourced from PubChem (CID 129314664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).