methyl 4-aminocubane-1-carboxylate;hydrochloride

C10H12ClNO2 — CID 134128338

IUPACmethyl 4-aminocubane-1-carboxylate;hydrochloride
SMILESCOC(=O)C12C3C4C1C1C2C3C41N.Cl
InChIInChI=1S/C10H11NO2.ClH/c1-13-8(12)9-2-5-3(9)7-4(9)6(2)10(5,7)11;/h2-7H,11H2,1H3;1H
InChIKeyAMZGEDRFHBTSQT-UHFFFAOYSA-N
MW213.66 g/mol
LogP0.03
Rot. Bonds1

About methyl 4-aminocubane-1-carboxylate;hydrochloride

methyl 4-aminocubane-1-carboxylate;hydrochloride (PubChem CID 134128338) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is methyl 4-aminocubane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-aminocubane-1-carboxylate;hydrochloride
PubChem CID134128338
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Namemethyl 4-aminocubane-1-carboxylate;hydrochloride
SMILESCOC(=O)C12C3C4C1C1C2C3C41N.Cl
InChIInChI=1S/C10H11NO2.ClH/c1-13-8(12)9-2-5-3(9)7-4(9)6(2)10(5,7)11;/h2-7H,11H2,1H3;1H
InChIKeyAMZGEDRFHBTSQT-UHFFFAOYSA-N
XLogP0.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-aminocubane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 4-aminocubane-1-carboxylate;hydrochloride (CID 134128338) is methyl 4-aminocubane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-aminocubane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-aminocubane-1-carboxylate;hydrochloride is COC(=O)C12C3C4C1C1C2C3C41N.Cl.
What is the InChIKey of methyl 4-aminocubane-1-carboxylate;hydrochloride?
The InChIKey is AMZGEDRFHBTSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.ClH/c1-13-8(12)9-2-5-3(9)7-4(9)6(2)10(5,7)11;/h2-7H,11H2,1H3;1H.
What are the key properties of methyl 4-aminocubane-1-carboxylate;hydrochloride?
methyl 4-aminocubane-1-carboxylate;hydrochloride has a molecular weight of 213.66 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-aminocubane-1-carboxylate;hydrochloride is sourced from PubChem (CID 134128338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).