methyl 1-acetamido-4-aminocyclohexane-1-carboxylate;hydrochloride

C10H19ClN2O3 — CID 22362402

IUPACmethyl 1-acetamido-4-aminocyclohexane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(NC(C)=O)CCC(N)CC1.Cl
InChIInChI=1S/C10H18N2O3.ClH/c1-7(13)12-10(9(14)15-2)5-3-8(11)4-6-10;/h8H,3-6,11H2,1-2H3,(H,12,13);1H
InChIKeyXYXDSXLEJRXUDO-UHFFFAOYSA-N
MW250.73 g/mol
LogP0.36
Rot. Bonds2

About methyl 1-acetamido-4-aminocyclohexane-1-carboxylate;hydrochloride

methyl 1-acetamido-4-aminocyclohexane-1-carboxylate;hydrochloride (PubChem CID 22362402) has the molecular formula C10H19ClN2O3 and a molecular weight of 250.73 g/mol. Its IUPAC name is methyl 1-acetamido-4-aminocyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-acetamido-4-aminocyclohexane-1-carboxylate;hydrochloride
PubChem CID22362402
Molecular FormulaC10H19ClN2O3
Molecular Weight250.73 g/mol
Exact Mass250.11
IUPAC Namemethyl 1-acetamido-4-aminocyclohexane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(NC(C)=O)CCC(N)CC1.Cl
InChIInChI=1S/C10H18N2O3.ClH/c1-7(13)12-10(9(14)15-2)5-3-8(11)4-6-10;/h8H,3-6,11H2,1-2H3,(H,12,13);1H
InChIKeyXYXDSXLEJRXUDO-UHFFFAOYSA-N
XLogP0.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate
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methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate
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methyl 2-acetamido-4,5,6,7-tetrachloro-1,3-dihydroindene-2-carboxylate
CID 102294862
cis-methyl (1R,2R)-1-acetamido-2-(methoxymethoxy)cyclobutane-1-carboxylate
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methyl 1-(cyclohexylamino)cyclohexane-1-carboxylate
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methyl 1-(4-acetamido-3-methylpentyl)-3-aminocyclopentane-1-carboxylate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of methyl 1-acetamido-4-aminocyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 1-acetamido-4-aminocyclohexane-1-carboxylate;hydrochloride (CID 22362402) is methyl 1-acetamido-4-aminocyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-acetamido-4-aminocyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-acetamido-4-aminocyclohexane-1-carboxylate;hydrochloride is COC(=O)C1(NC(C)=O)CCC(N)CC1.Cl.
What is the InChIKey of methyl 1-acetamido-4-aminocyclohexane-1-carboxylate;hydrochloride?
The InChIKey is XYXDSXLEJRXUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3.ClH/c1-7(13)12-10(9(14)15-2)5-3-8(11)4-6-10;/h8H,3-6,11H2,1-2H3,(H,12,13);1H.
What are the key properties of methyl 1-acetamido-4-aminocyclohexane-1-carboxylate;hydrochloride?
methyl 1-acetamido-4-aminocyclohexane-1-carboxylate;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-acetamido-4-aminocyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 22362402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).