1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid

C11H19NO4 — CID 114990677

IUPAC1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCOC(=O)CNC1(C(=O)O)CCCC(C)C1
InChIInChI=1S/C11H19NO4/c1-8-4-3-5-11(6-8,10(14)15)12-7-9(13)16-2/h8,12H,3-7H2,1-2H3,(H,14,15)
InChIKeyNYARLSTXLBNFJS-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.78
Rot. Bonds4

About 1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid

1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 114990677) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid
PubChem CID114990677
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCOC(=O)CNC1(C(=O)O)CCCC(C)C1
InChIInChI=1S/C11H19NO4/c1-8-4-3-5-11(6-8,10(14)15)12-7-9(13)16-2/h8,12H,3-7H2,1-2H3,(H,14,15)
InChIKeyNYARLSTXLBNFJS-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 114991619
1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 114987731
3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid
CID 64516179
3-[(2-methoxy-2-oxoethyl)amino]thiane-3-carboxylic acid
CID 114997889
1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82236337
1-(cyclobutylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82237602
3-methyl-1-(pentan-3-ylamino)cyclohexane-1-carboxylic acid
CID 78969315
methyl 2-[1-(2-methoxy-2-oxoethyl)-3-methylcyclohexyl]acetate
CID 101326115
1-(butanoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 61289591
1-(4-methoxypentanoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 113382104
3-methyl-1-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 103205912
1-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61291087

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid (CID 114990677) is 1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid is COC(=O)CNC1(C(=O)O)CCCC(C)C1.
What is the InChIKey of 1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is NYARLSTXLBNFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8-4-3-5-11(6-8,10(14)15)12-7-9(13)16-2/h8,12H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid?
1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 114990677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).