1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid

C11H19NO4 — CID 61295410

IUPAC1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCOCC(=O)NC1(C(=O)O)CCCCC1C
InChIInChI=1S/C11H19NO4/c1-8-5-3-4-6-11(8,10(14)15)12-9(13)7-16-2/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeySRXUEYHBVJKDOB-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.78
Rot. Bonds4

About 1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid

1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 61295410) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID61295410
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCOCC(=O)NC1(C(=O)O)CCCCC1C
InChIInChI=1S/C11H19NO4/c1-8-5-3-4-6-11(8,10(14)15)12-9(13)7-16-2/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeySRXUEYHBVJKDOB-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
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 ≤ 103

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Related Compounds

1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 62590402
2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid
CID 61293760
1-acetamido-2-methylcyclohexane-1-carboxylic acid
CID 61292640
1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294871
1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61293575
1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61292847
1-[[2-(2-chlorophenyl)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294678
2-methyl-1-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 113291650
1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid
CID 60997493
1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 114462405
2-methyl-1-(3-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 16786937
1-(benzylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 16788652

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid (CID 61295410) is 1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid is COCC(=O)NC1(C(=O)O)CCCCC1C.
What is the InChIKey of 1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is SRXUEYHBVJKDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8-5-3-4-6-11(8,10(14)15)12-9(13)7-16-2/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid?
1-[(2-methoxyacetyl)amino]-2-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 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61295410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).