methyl 1-aminocyclohexane-1-carboxylate;hydrochloride

C8H16ClNO2 — CID 22645079

IUPACmethyl 1-aminocyclohexane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-11-7(10)8(9)5-3-2-4-6-8;/h2-6,9H2,1H3;1H
InChIKeyMTPXRXOMKRLUMU-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.24
Rot. Bonds1

About methyl 1-aminocyclohexane-1-carboxylate;hydrochloride

methyl 1-aminocyclohexane-1-carboxylate;hydrochloride (PubChem CID 22645079) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is methyl 1-aminocyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-aminocyclohexane-1-carboxylate;hydrochloride
PubChem CID22645079
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namemethyl 1-aminocyclohexane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-11-7(10)8(9)5-3-2-4-6-8;/h2-6,9H2,1H3;1H
InChIKeyMTPXRXOMKRLUMU-UHFFFAOYSA-N
XLogP1.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-aminocyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 1-aminocyclohexane-1-carboxylate;hydrochloride (CID 22645079) is methyl 1-aminocyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-aminocyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-aminocyclohexane-1-carboxylate;hydrochloride is COC(=O)C1(N)CCCCC1.Cl.
What is the InChIKey of methyl 1-aminocyclohexane-1-carboxylate;hydrochloride?
The InChIKey is MTPXRXOMKRLUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-11-7(10)8(9)5-3-2-4-6-8;/h2-6,9H2,1H3;1H.
What are the key properties of methyl 1-aminocyclohexane-1-carboxylate;hydrochloride?
methyl 1-aminocyclohexane-1-carboxylate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-aminocyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 22645079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).