dimethyl 2-amino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylate

C10H14FNO4 — CID 20715383

IUPACdimethyl 2-amino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylate
SMILESCOC(=O)C1(N)CCC2C1C2(F)C(=O)OC
InChIInChI=1S/C10H14FNO4/c1-15-7(13)9(12)4-3-5-6(9)10(5,11)8(14)16-2/h5-6H,3-4,12H2,1-2H3
InChIKeyMWAOBWMFCHPEQJ-UHFFFAOYSA-N
MW231.22 g/mol
LogP-0.22
Rot. Bonds2

About dimethyl 2-amino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylate

dimethyl 2-amino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylate (PubChem CID 20715383) has the molecular formula C10H14FNO4 and a molecular weight of 231.22 g/mol. Its IUPAC name is dimethyl 2-amino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-amino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylate
PubChem CID20715383
Molecular FormulaC10H14FNO4
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Namedimethyl 2-amino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylate
SMILESCOC(=O)C1(N)CCC2C1C2(F)C(=O)OC
InChIInChI=1S/C10H14FNO4/c1-15-7(13)9(12)4-3-5-6(9)10(5,11)8(14)16-2/h5-6H,3-4,12H2,1-2H3
InChIKeyMWAOBWMFCHPEQJ-UHFFFAOYSA-N
XLogP-0.22
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-methyl (1S,2R)-1-amino-2-propan-2-ylcyclobutane-1-carboxylate
CID 129418531
dimethyl (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylate;hydrochloride
CID 11414013
methyl 1-amino-2-methoxycyclohexane-1-carboxylate
CID 106872967
methyl 1-amino-3-fluorocyclopentane-1-carboxylate
CID 115012639
methyl 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 20715391
methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate;hydrochloride
CID 67216420
methyl 4-amino-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441158
methyl 4-aminobicyclo[3.1.0]hexane-1-carboxylate;hydrochloride
CID 164662398
trans-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311018
trans-methyl (1S,3R)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311019
cis-methyl (1R,2R)-1-amino-2-benzylcyclobutane-1-carboxylate
CID 129418563
methyl 4-ethyl-2-fluoro-4-methylbicyclo[1.1.0]butane-2-carboxylate
CID 134474597

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-amino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylate?
The IUPAC name of dimethyl 2-amino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylate (CID 20715383) is dimethyl 2-amino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylate.
What is the SMILES notation for dimethyl 2-amino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylate?
The canonical SMILES for dimethyl 2-amino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylate is COC(=O)C1(N)CCC2C1C2(F)C(=O)OC.
What is the InChIKey of dimethyl 2-amino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylate?
The InChIKey is MWAOBWMFCHPEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO4/c1-15-7(13)9(12)4-3-5-6(9)10(5,11)8(14)16-2/h5-6H,3-4,12H2,1-2H3.
What are the key properties of dimethyl 2-amino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylate?
dimethyl 2-amino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylate has a molecular weight of 231.22 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-amino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylate is sourced from PubChem (CID 20715383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).