methyl 2-aminospiro[3.5]nonane-2-carboxylate;hydrochloride

C11H20ClNO2 — CID 146049470

IUPACmethyl 2-aminospiro[3.5]nonane-2-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CC2(CCCCC2)C1.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-14-9(13)11(12)7-10(8-11)5-3-2-4-6-10;/h2-8,12H2,1H3;1H
InChIKeyFHRFQECWQWXLCE-UHFFFAOYSA-N
MW233.74 g/mol
LogP2.02
Rot. Bonds1

About methyl 2-aminospiro[3.5]nonane-2-carboxylate;hydrochloride

methyl 2-aminospiro[3.5]nonane-2-carboxylate;hydrochloride (PubChem CID 146049470) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is methyl 2-aminospiro[3.5]nonane-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-aminospiro[3.5]nonane-2-carboxylate;hydrochloride
PubChem CID146049470
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Namemethyl 2-aminospiro[3.5]nonane-2-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CC2(CCCCC2)C1.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-14-9(13)11(12)7-10(8-11)5-3-2-4-6-10;/h2-8,12H2,1H3;1H
InChIKeyFHRFQECWQWXLCE-UHFFFAOYSA-N
XLogP2.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 1-aminocyclohexanoate
CID 4048819
Ethyl 1-aminocyclohexanecarboxylate
CID 222863
Ethyl 1-aminocyclohexane-1-carboxylate hydrochloride
CID 11241228
Methyl 1-aminocyclohexane-1-carboxylate hydrochloride
CID 22645079
Methyl 1-aminocycloheptane-1-carboxylate hydrochloride
CID 42614177
Ethyl 2-amino-2-ethyloctanoate
CID 42614433
Methyl 2-aminospiro(3.3)heptane-2-carboxylate hydrochloride
CID 121207563
Ethyl 2-aminospiro[3.3]heptane-2-carboxylate hydrochloride
CID 138039898
Methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate hydrochloride
CID 138991482
6-Aminospiro(3.5)nonane-6-carboxylic acid hydrochloride
CID 139026831
Methyl 2-aminospiro(3.4)octane-2-carboxylate hydrochloride
CID 146108129
Methyl 2-amino-7,7-difluorospiro[3.5]nonane-2-carboxylate hydrochloride
CID 155822467

Frequently Asked Questions

What is the IUPAC name of methyl 2-aminospiro[3.5]nonane-2-carboxylate;hydrochloride?
The IUPAC name of methyl 2-aminospiro[3.5]nonane-2-carboxylate;hydrochloride (CID 146049470) is methyl 2-aminospiro[3.5]nonane-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-aminospiro[3.5]nonane-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-aminospiro[3.5]nonane-2-carboxylate;hydrochloride is COC(=O)C1(N)CC2(CCCCC2)C1.Cl.
What is the InChIKey of methyl 2-aminospiro[3.5]nonane-2-carboxylate;hydrochloride?
The InChIKey is FHRFQECWQWXLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.ClH/c1-14-9(13)11(12)7-10(8-11)5-3-2-4-6-10;/h2-8,12H2,1H3;1H.
What are the key properties of methyl 2-aminospiro[3.5]nonane-2-carboxylate;hydrochloride?
methyl 2-aminospiro[3.5]nonane-2-carboxylate;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminospiro[3.5]nonane-2-carboxylate;hydrochloride is sourced from PubChem (CID 146049470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).