methyl 5-aminopentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate;hydrochloride

C11H14ClNO2 — CID 13147072

IUPACmethyl 5-aminopentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate;hydrochloride
SMILESCOC(=O)C12C3C4CC(C5C4C51N)C32.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-14-9(13)10-5-3-2-4(6(5)10)8-7(3)11(8,10)12;/h3-8H,2,12H2,1H3;1H
InChIKeyUBFPOLYYTIZBGS-UHFFFAOYSA-N
MW227.69 g/mol
LogP0.42
Rot. Bonds1

About methyl 5-aminopentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate;hydrochloride

methyl 5-aminopentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate;hydrochloride (PubChem CID 13147072) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is methyl 5-aminopentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-aminopentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate;hydrochloride
PubChem CID13147072
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Namemethyl 5-aminopentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate;hydrochloride
SMILESCOC(=O)C12C3C4CC(C5C4C51N)C32.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-14-9(13)10-5-3-2-4(6(5)10)8-7(3)11(8,10)12;/h3-8H,2,12H2,1H3;1H
InChIKeyUBFPOLYYTIZBGS-UHFFFAOYSA-N
XLogP0.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-aminopentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate;hydrochloride?
The IUPAC name of methyl 5-aminopentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate;hydrochloride (CID 13147072) is methyl 5-aminopentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-aminopentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-aminopentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate;hydrochloride is COC(=O)C12C3C4CC(C5C4C51N)C32.Cl.
What is the InChIKey of methyl 5-aminopentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate;hydrochloride?
The InChIKey is UBFPOLYYTIZBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-14-9(13)10-5-3-2-4(6(5)10)8-7(3)11(8,10)12;/h3-8H,2,12H2,1H3;1H.
What are the key properties of methyl 5-aminopentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate;hydrochloride?
methyl 5-aminopentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-aminopentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate;hydrochloride is sourced from PubChem (CID 13147072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).