methyl 2-amino-6-methoxyspiro[3.3]heptane-2-carboxylate;hydrochloride

C10H18ClNO3 — CID 155820359

IUPACmethyl 2-amino-6-methoxyspiro[3.3]heptane-2-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CC2(CC(OC)C2)C1.Cl
InChIInChI=1S/C10H17NO3.ClH/c1-13-7-3-9(4-7)5-10(11,6-9)8(12)14-2;/h7H,3-6,11H2,1-2H3;1H
InChIKeyQOGKUWORWHNQCQ-UHFFFAOYSA-N
MW235.71 g/mol
LogP0.87
Rot. Bonds2

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

methyl 2-amino-6-methoxyspiro[3.3]heptane-2-carboxylate;hydrochloride (PubChem CID 155820359) has the molecular formula C10H18ClNO3 and a molecular weight of 235.71 g/mol. Its IUPAC name is methyl 2-amino-6-methoxyspiro[3.3]heptane-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-6-methoxyspiro[3.3]heptane-2-carboxylate;hydrochloride
PubChem CID155820359
Molecular FormulaC10H18ClNO3
Molecular Weight235.71 g/mol
Exact Mass235.10
IUPAC Namemethyl 2-amino-6-methoxyspiro[3.3]heptane-2-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CC2(CC(OC)C2)C1.Cl
InChIInChI=1S/C10H17NO3.ClH/c1-13-7-3-9(4-7)5-10(11,6-9)8(12)14-2;/h7H,3-6,11H2,1-2H3;1H
InChIKeyQOGKUWORWHNQCQ-UHFFFAOYSA-N
XLogP0.87
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
Methyl1-aminospiro[3.3]heptane-1-carboxylatehydrochloride
CID 165692795
spirobisaminoester HCl salt
CID 139091348
Ethyl 2-aminospiro[3.3]heptane-2-carboxylate
CID 121207783
Ethyl 2-amino-6-fluorospiro[3.3]heptane-2-carboxylate
CID 155858777
Methyl 2-amino-6-fluorospiro[3.3]heptane-2-carboxylate
CID 165906289
Methyl 2-aminospiro[3.3]heptane-2-carboxylate
CID 69315246
Methyl 3-(3-amino-1-bicyclo[1.1.1]pentanyl)propanoate;hydrochloride
CID 135363272
Dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate;dihydrochloride
CID 44552398
Dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate
CID 44552399

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-methoxyspiro[3.3]heptane-2-carboxylate;hydrochloride?
The IUPAC name of methyl 2-amino-6-methoxyspiro[3.3]heptane-2-carboxylate;hydrochloride (CID 155820359) is methyl 2-amino-6-methoxyspiro[3.3]heptane-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-amino-6-methoxyspiro[3.3]heptane-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-amino-6-methoxyspiro[3.3]heptane-2-carboxylate;hydrochloride is COC(=O)C1(N)CC2(CC(OC)C2)C1.Cl.
What is the InChIKey of methyl 2-amino-6-methoxyspiro[3.3]heptane-2-carboxylate;hydrochloride?
The InChIKey is QOGKUWORWHNQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3.ClH/c1-13-7-3-9(4-7)5-10(11,6-9)8(12)14-2;/h7H,3-6,11H2,1-2H3;1H.
What are the key properties of methyl 2-amino-6-methoxyspiro[3.3]heptane-2-carboxylate;hydrochloride?
methyl 2-amino-6-methoxyspiro[3.3]heptane-2-carboxylate;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-methoxyspiro[3.3]heptane-2-carboxylate;hydrochloride is sourced from PubChem (CID 155820359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).