methyl 8-aminodispiro[3.1.36.14]decane-2-carboxylate;hydrochloride

C12H20ClNO2 — CID 155820293

IUPACmethyl 8-aminodispiro[3.1.36.14]decane-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CC2(C1)CC1(CC(N)C1)C2.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-15-10(14)8-2-11(3-8)6-12(7-11)4-9(13)5-12;/h8-9H,2-7,13H2,1H3;1H
InChIKeyZSWURNCCVHBHRC-UHFFFAOYSA-N
MW245.75 g/mol
LogP1.88
Rot. Bonds1

About methyl 8-aminodispiro[3.1.36.14]decane-2-carboxylate;hydrochloride

methyl 8-aminodispiro[3.1.36.14]decane-2-carboxylate;hydrochloride (PubChem CID 155820293) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is methyl 8-aminodispiro[3.1.36.14]decane-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 8-aminodispiro[3.1.36.14]decane-2-carboxylate;hydrochloride
PubChem CID155820293
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Namemethyl 8-aminodispiro[3.1.36.14]decane-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CC2(C1)CC1(CC(N)C1)C2.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-15-10(14)8-2-11(3-8)6-12(7-11)4-9(13)5-12;/h8-9H,2-7,13H2,1H3;1H
InChIKeyZSWURNCCVHBHRC-UHFFFAOYSA-N
XLogP1.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 8-aminodispiro[3.1.36.14]decane-2-carboxylate;hydrochloride?
The IUPAC name of methyl 8-aminodispiro[3.1.36.14]decane-2-carboxylate;hydrochloride (CID 155820293) is methyl 8-aminodispiro[3.1.36.14]decane-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 8-aminodispiro[3.1.36.14]decane-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 8-aminodispiro[3.1.36.14]decane-2-carboxylate;hydrochloride is COC(=O)C1CC2(C1)CC1(CC(N)C1)C2.Cl.
What is the InChIKey of methyl 8-aminodispiro[3.1.36.14]decane-2-carboxylate;hydrochloride?
The InChIKey is ZSWURNCCVHBHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-15-10(14)8-2-11(3-8)6-12(7-11)4-9(13)5-12;/h8-9H,2-7,13H2,1H3;1H.
What are the key properties of methyl 8-aminodispiro[3.1.36.14]decane-2-carboxylate;hydrochloride?
methyl 8-aminodispiro[3.1.36.14]decane-2-carboxylate;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-aminodispiro[3.1.36.14]decane-2-carboxylate;hydrochloride is sourced from PubChem (CID 155820293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).