methyl 2-amino-2-cyclohexylacetate;hydrochloride

C9H18ClNO2 — CID 22259438

IUPACmethyl 2-amino-2-cyclohexylacetate;hydrochloride
SMILESCOC(=O)C(N)C1CCCCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;/h7-8H,2-6,10H2,1H3;1H
InChIKeyORJOGDRCFDWIIJ-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.49
Rot. Bonds2

About methyl 2-amino-2-cyclohexylacetate;hydrochloride

methyl 2-amino-2-cyclohexylacetate;hydrochloride (PubChem CID 22259438) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is methyl 2-amino-2-cyclohexylacetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclohexylacetate;hydrochloride
PubChem CID22259438
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Namemethyl 2-amino-2-cyclohexylacetate;hydrochloride
SMILESCOC(=O)C(N)C1CCCCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;/h7-8H,2-6,10H2,1H3;1H
InChIKeyORJOGDRCFDWIIJ-UHFFFAOYSA-N
XLogP1.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclohexylacetate;hydrochloride?
The IUPAC name of methyl 2-amino-2-cyclohexylacetate;hydrochloride (CID 22259438) is methyl 2-amino-2-cyclohexylacetate;hydrochloride.
What is the SMILES notation for methyl 2-amino-2-cyclohexylacetate;hydrochloride?
The canonical SMILES for methyl 2-amino-2-cyclohexylacetate;hydrochloride is COC(=O)C(N)C1CCCCC1.Cl.
What is the InChIKey of methyl 2-amino-2-cyclohexylacetate;hydrochloride?
The InChIKey is ORJOGDRCFDWIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;/h7-8H,2-6,10H2,1H3;1H.
What are the key properties of methyl 2-amino-2-cyclohexylacetate;hydrochloride?
methyl 2-amino-2-cyclohexylacetate;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-cyclohexylacetate;hydrochloride is sourced from PubChem (CID 22259438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).