1-(4-methoxypentanoylamino)-3-methylcyclohexane-1-carboxylic acid

C14H25NO4 — CID 113382104

IUPAC1-(4-methoxypentanoylamino)-3-methylcyclohexane-1-carboxylic acid
SMILESCOC(C)CCC(=O)NC1(C(=O)O)CCCC(C)C1
InChIInChI=1S/C14H25NO4/c1-10-5-4-8-14(9-10,13(17)18)15-12(16)7-6-11(2)19-3/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyOSDDQTBJALRBOK-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.95
Rot. Bonds6

About 1-(4-methoxypentanoylamino)-3-methylcyclohexane-1-carboxylic acid

1-(4-methoxypentanoylamino)-3-methylcyclohexane-1-carboxylic acid (PubChem CID 113382104) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(4-methoxypentanoylamino)-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxypentanoylamino)-3-methylcyclohexane-1-carboxylic acid
PubChem CID113382104
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name1-(4-methoxypentanoylamino)-3-methylcyclohexane-1-carboxylic acid
SMILESCOC(C)CCC(=O)NC1(C(=O)O)CCCC(C)C1
InChIInChI=1S/C14H25NO4/c1-10-5-4-8-14(9-10,13(17)18)15-12(16)7-6-11(2)19-3/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyOSDDQTBJALRBOK-UHFFFAOYSA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(butanoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 61289591
1-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61291087
1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 79853770
1-[(3-amino-2-methylpropanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 62668574
1-(hexan-2-ylcarbamoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 62199336
1-[(2-tert-butylsulfanylacetyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61290328
3-methyl-1-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 103205912
1-[(2-amino-3-methylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61293194
3-methyl-1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61294474
3-methyl-1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63958793
1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 114990677
3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 65157180

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypentanoylamino)-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(4-methoxypentanoylamino)-3-methylcyclohexane-1-carboxylic acid (CID 113382104) is 1-(4-methoxypentanoylamino)-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(4-methoxypentanoylamino)-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(4-methoxypentanoylamino)-3-methylcyclohexane-1-carboxylic acid is COC(C)CCC(=O)NC1(C(=O)O)CCCC(C)C1.
What is the InChIKey of 1-(4-methoxypentanoylamino)-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is OSDDQTBJALRBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10-5-4-8-14(9-10,13(17)18)15-12(16)7-6-11(2)19-3/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 1-(4-methoxypentanoylamino)-3-methylcyclohexane-1-carboxylic acid?
1-(4-methoxypentanoylamino)-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypentanoylamino)-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 113382104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).