carbon dioxide;methyl 2-amino-5-methylbicyclo[2.1.1]hexane-2-carboxylate

C10H15NO4 — CID 158127472

IUPACcarbon dioxide;methyl 2-amino-5-methylbicyclo[2.1.1]hexane-2-carboxylate
SMILESCOC(=O)C1(N)CC2CC1C2C.O=C=O
InChIInChI=1S/C9H15NO2.CO2/c1-5-6-3-7(5)9(10,4-6)8(11)12-2;2-1-3/h5-7H,3-4,10H2,1-2H3;
InChIKeyFSIZXYBEUHIYBN-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.05
Rot. Bonds1

About carbon dioxide;methyl 2-amino-5-methylbicyclo[2.1.1]hexane-2-carboxylate

carbon dioxide;methyl 2-amino-5-methylbicyclo[2.1.1]hexane-2-carboxylate (PubChem CID 158127472) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is carbon dioxide;methyl 2-amino-5-methylbicyclo[2.1.1]hexane-2-carboxylate.

Molecular Properties

Compound Namecarbon dioxide;methyl 2-amino-5-methylbicyclo[2.1.1]hexane-2-carboxylate
PubChem CID158127472
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Namecarbon dioxide;methyl 2-amino-5-methylbicyclo[2.1.1]hexane-2-carboxylate
SMILESCOC(=O)C1(N)CC2CC1C2C.O=C=O
InChIInChI=1S/C9H15NO2.CO2/c1-5-6-3-7(5)9(10,4-6)8(11)12-2;2-1-3/h5-7H,3-4,10H2,1-2H3;
InChIKeyFSIZXYBEUHIYBN-UHFFFAOYSA-N
XLogP-0.05
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl (1S,2S,4S,5S)-2-aminobicyclo[2.1.1]hexane-2,5-dicarboxylate
CID 10536541
methyl 2-methyl-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-6-carboxylate
CID 131965966
2-(2-amino-2-methoxycarbonylcyclopropyl)acetic acid;hydrochloride
CID 74893750
methyl 2-amino-1,3,3a,4,5,6,7,7a-octahydroindene-2-carboxylate
CID 67076753
ethyl (6S)-4-aminotetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 163831098
methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride
CID 138991482
methyl 5-aminopentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate;hydrochloride
CID 13147072
dimethyl 2-amino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylate
CID 20715383
dimethyl (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylate;hydrochloride
CID 11414013
methyl (5R,7R)-3-aminoadamantane-1-carboxylate
CID 23309146
methyl 1-amino-2-methoxycyclohexane-1-carboxylate
CID 106872967
trans-methyl (1S,2R)-1-amino-2-propan-2-ylcyclobutane-1-carboxylate
CID 129418531

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;methyl 2-amino-5-methylbicyclo[2.1.1]hexane-2-carboxylate?
The IUPAC name of carbon dioxide;methyl 2-amino-5-methylbicyclo[2.1.1]hexane-2-carboxylate (CID 158127472) is carbon dioxide;methyl 2-amino-5-methylbicyclo[2.1.1]hexane-2-carboxylate.
What is the SMILES notation for carbon dioxide;methyl 2-amino-5-methylbicyclo[2.1.1]hexane-2-carboxylate?
The canonical SMILES for carbon dioxide;methyl 2-amino-5-methylbicyclo[2.1.1]hexane-2-carboxylate is COC(=O)C1(N)CC2CC1C2C.O=C=O.
What is the InChIKey of carbon dioxide;methyl 2-amino-5-methylbicyclo[2.1.1]hexane-2-carboxylate?
The InChIKey is FSIZXYBEUHIYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.CO2/c1-5-6-3-7(5)9(10,4-6)8(11)12-2;2-1-3/h5-7H,3-4,10H2,1-2H3;.
What are the key properties of carbon dioxide;methyl 2-amino-5-methylbicyclo[2.1.1]hexane-2-carboxylate?
carbon dioxide;methyl 2-amino-5-methylbicyclo[2.1.1]hexane-2-carboxylate has a molecular weight of 213.23 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;methyl 2-amino-5-methylbicyclo[2.1.1]hexane-2-carboxylate is sourced from PubChem (CID 158127472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).