(1-methylcyclopropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate

C14H22N2O3 — CID 167481077

IUPAC(1-methylcyclopropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate
SMILESCC1(OC(=O)NCC(=O)N2CC3C(C2)C3(C)C)CC1
InChIInChI=1S/C14H22N2O3/c1-13(2)9-7-16(8-10(9)13)11(17)6-15-12(18)19-14(3)4-5-14/h9-10H,4-8H2,1-3H3,(H,15,18)
InChIKeyVOIBBLIIXQYTHY-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.38
Rot. Bonds3

About (1-methylcyclopropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate

(1-methylcyclopropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate (PubChem CID 167481077) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (1-methylcyclopropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Name(1-methylcyclopropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate
PubChem CID167481077
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(1-methylcyclopropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate
SMILESCC1(OC(=O)NCC(=O)N2CC3C(C2)C3(C)C)CC1
InChIInChI=1S/C14H22N2O3/c1-13(2)9-7-16(8-10(9)13)11(17)6-15-12(18)19-14(3)4-5-14/h9-10H,4-8H2,1-3H3,(H,15,18)
InChIKeyVOIBBLIIXQYTHY-UHFFFAOYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(trifluoromethyl)cyclopropyl] N-[2-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate
CID 169655643
(3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-oxo-2-[(1S,5S)-1,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]carbamate
CID 169655644
tert-butyl N-[2-(7-fluoro-5-azaspiro[2.4]heptan-5-yl)-2-oxoethyl]carbamate
CID 178127764
[1-(trifluoromethyl)cyclopropyl] N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate
CID 167480973
(1,1,1-trifluoro-2-methylpropan-2-yl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate
CID 167481314
(3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate
CID 167481452
(1-cyclopropyl-2,2,2-trifluoroethyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate
CID 167481552
tert-butyl N-[2-(3,3-dimethylpiperidin-1-yl)-2-oxoethyl]carbamate
CID 19709541
tert-butyl N-[2-oxo-2-(4-propan-2-ylpiperidin-1-yl)ethyl]carbamate
CID 58515324
2-methylpropyl N-[2-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate
CID 70321354
tert-butyl N-[(2R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-oxopropan-2-yl]carbamate
CID 122675708
tert-butyl N-[(2R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-2-yl]carbamate
CID 122675725

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate?
The IUPAC name of (1-methylcyclopropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate (CID 167481077) is (1-methylcyclopropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for (1-methylcyclopropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate?
The canonical SMILES for (1-methylcyclopropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate is CC1(OC(=O)NCC(=O)N2CC3C(C2)C3(C)C)CC1.
What is the InChIKey of (1-methylcyclopropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate?
The InChIKey is VOIBBLIIXQYTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-13(2)9-7-16(8-10(9)13)11(17)6-15-12(18)19-14(3)4-5-14/h9-10H,4-8H2,1-3H3,(H,15,18).
What are the key properties of (1-methylcyclopropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate?
(1-methylcyclopropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 167481077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).