methyl 6-amino-7,7-dimethylbicyclo[4.1.0]heptane-2-carboxylate

C11H19NO2 — CID 147403708

IUPACmethyl 6-amino-7,7-dimethylbicyclo[4.1.0]heptane-2-carboxylate
SMILESCOC(=O)C1CCCC2(N)C1C2(C)C
InChIInChI=1S/C11H19NO2/c1-10(2)8-7(9(13)14-3)5-4-6-11(8,10)12/h7-8H,4-6,12H2,1-3H3
InChIKeyDPGGCJNGDSHNRN-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.31
Rot. Bonds1

About methyl 6-amino-7,7-dimethylbicyclo[4.1.0]heptane-2-carboxylate

methyl 6-amino-7,7-dimethylbicyclo[4.1.0]heptane-2-carboxylate (PubChem CID 147403708) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl 6-amino-7,7-dimethylbicyclo[4.1.0]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-7,7-dimethylbicyclo[4.1.0]heptane-2-carboxylate
PubChem CID147403708
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl 6-amino-7,7-dimethylbicyclo[4.1.0]heptane-2-carboxylate
SMILESCOC(=O)C1CCCC2(N)C1C2(C)C
InChIInChI=1S/C11H19NO2/c1-10(2)8-7(9(13)14-3)5-4-6-11(8,10)12/h7-8H,4-6,12H2,1-3H3
InChIKeyDPGGCJNGDSHNRN-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (1S,3aS,4R,7aS)-1-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylate
CID 118606151
cis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate
CID 10986985
methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 86175836
trans-dimethyl (1S,3S)-2-hydroxycyclohexane-1,3-dicarboxylate
CID 6932414
trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
CID 91754378
trans-methyl (1R,2R)-2-amino-2-methylcyclohexane-1-carboxylate
CID 96839903
trans-methyl (1R,2R)-2-acetylcyclopentane-1-carboxylate
CID 131114083
methyl 2-methylcyclopentane-1-carboxylate
CID 13435361
methyl 2-(dimethylamino)cyclohexane-1-carboxylate
CID 130193597
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl 2-bromocyclopentane-1-carboxylate
CID 165357827

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-7,7-dimethylbicyclo[4.1.0]heptane-2-carboxylate?
The IUPAC name of methyl 6-amino-7,7-dimethylbicyclo[4.1.0]heptane-2-carboxylate (CID 147403708) is methyl 6-amino-7,7-dimethylbicyclo[4.1.0]heptane-2-carboxylate.
What is the SMILES notation for methyl 6-amino-7,7-dimethylbicyclo[4.1.0]heptane-2-carboxylate?
The canonical SMILES for methyl 6-amino-7,7-dimethylbicyclo[4.1.0]heptane-2-carboxylate is COC(=O)C1CCCC2(N)C1C2(C)C.
What is the InChIKey of methyl 6-amino-7,7-dimethylbicyclo[4.1.0]heptane-2-carboxylate?
The InChIKey is DPGGCJNGDSHNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(2)8-7(9(13)14-3)5-4-6-11(8,10)12/h7-8H,4-6,12H2,1-3H3.
What are the key properties of methyl 6-amino-7,7-dimethylbicyclo[4.1.0]heptane-2-carboxylate?
methyl 6-amino-7,7-dimethylbicyclo[4.1.0]heptane-2-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-7,7-dimethylbicyclo[4.1.0]heptane-2-carboxylate is sourced from PubChem (CID 147403708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).