methyl 2-aminospiro[3.3]heptane-6-carboxylate;hydrochloride

C9H16ClNO2 — CID 43810935

IUPACmethyl 2-aminospiro[3.3]heptane-6-carboxylate;hydrochloride
SMILESCOC(=O)C1CC2(CC(N)C2)C1.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-12-8(11)6-2-9(3-6)4-7(10)5-9;/h6-7H,2-5,10H2,1H3;1H
InChIKeyYPGLGGXSCLUQOR-UHFFFAOYSA-N
MW205.69 g/mol
LogP1.10
Rot. Bonds1

About methyl 2-aminospiro[3.3]heptane-6-carboxylate;hydrochloride

methyl 2-aminospiro[3.3]heptane-6-carboxylate;hydrochloride (PubChem CID 43810935) has the molecular formula C9H16ClNO2 and a molecular weight of 205.69 g/mol. Its IUPAC name is methyl 2-aminospiro[3.3]heptane-6-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-aminospiro[3.3]heptane-6-carboxylate;hydrochloride
PubChem CID43810935
Molecular FormulaC9H16ClNO2
Molecular Weight205.69 g/mol
Exact Mass205.09
IUPAC Namemethyl 2-aminospiro[3.3]heptane-6-carboxylate;hydrochloride
SMILESCOC(=O)C1CC2(CC(N)C2)C1.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-12-8(11)6-2-9(3-6)4-7(10)5-9;/h6-7H,2-5,10H2,1H3;1H
InChIKeyYPGLGGXSCLUQOR-UHFFFAOYSA-N
XLogP1.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-aminospiro[3.3]heptane-6-carboxylate;hydrochloride?
The IUPAC name of methyl 2-aminospiro[3.3]heptane-6-carboxylate;hydrochloride (CID 43810935) is methyl 2-aminospiro[3.3]heptane-6-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-aminospiro[3.3]heptane-6-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-aminospiro[3.3]heptane-6-carboxylate;hydrochloride is COC(=O)C1CC2(CC(N)C2)C1.Cl.
What is the InChIKey of methyl 2-aminospiro[3.3]heptane-6-carboxylate;hydrochloride?
The InChIKey is YPGLGGXSCLUQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-12-8(11)6-2-9(3-6)4-7(10)5-9;/h6-7H,2-5,10H2,1H3;1H.
What are the key properties of methyl 2-aminospiro[3.3]heptane-6-carboxylate;hydrochloride?
methyl 2-aminospiro[3.3]heptane-6-carboxylate;hydrochloride has a molecular weight of 205.69 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminospiro[3.3]heptane-6-carboxylate;hydrochloride is sourced from PubChem (CID 43810935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).