1-[(2-methoxy-2-methylpropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid

C13H23NO4 — CID 103018203

IUPAC1-[(2-methoxy-2-methylpropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCOC(C)(C)C(=O)NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C13H23NO4/c1-9-5-7-13(8-6-9,11(16)17)14-10(15)12(2,3)18-4/h9H,5-8H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyBLQVAUISLUDZHV-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.56
Rot. Bonds4

About 1-[(2-methoxy-2-methylpropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid

1-[(2-methoxy-2-methylpropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 103018203) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[(2-methoxy-2-methylpropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxy-2-methylpropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID103018203
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name1-[(2-methoxy-2-methylpropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCOC(C)(C)C(=O)NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C13H23NO4/c1-9-5-7-13(8-6-9,11(16)17)14-10(15)12(2,3)18-4/h9H,5-8H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyBLQVAUISLUDZHV-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxypropanoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 115910033
1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid
CID 43341471
N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide
CID 103020316
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 115942365
1-[[(E)-but-2-enoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 43163116
1-(butanoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 43163089
1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43341477
4-methyl-1-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63958332
1-[(2-amino-3-methoxypropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 81088836
1-(3-ethylpentan-3-ylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 65042943
4-methyl-1-(2,3,3-trimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 83142956
4-methyl-1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120529980

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-2-methylpropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-methoxy-2-methylpropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid (CID 103018203) is 1-[(2-methoxy-2-methylpropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxy-2-methylpropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methoxy-2-methylpropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid is COC(C)(C)C(=O)NC1(C(=O)O)CCC(C)CC1.
What is the InChIKey of 1-[(2-methoxy-2-methylpropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is BLQVAUISLUDZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-9-5-7-13(8-6-9,11(16)17)14-10(15)12(2,3)18-4/h9H,5-8H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(2-methoxy-2-methylpropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid?
1-[(2-methoxy-2-methylpropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-2-methylpropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 103018203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).