4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid;ethane

C14H29NO3 — CID 143408553

IUPAC4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid;ethane
SMILESCC.CC.CC(=O)N(C)C1CCC(C(=O)O)CC1
InChIInChI=1S/C10H17NO3.2C2H6/c1-7(12)11(2)9-5-3-8(4-6-9)10(13)14;2*1-2/h8-9H,3-6H2,1-2H3,(H,13,14);2*1-2H3
InChIKeyOBMIGJMPOFASTC-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.16
Rot. Bonds2

About 4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid;ethane

4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid;ethane (PubChem CID 143408553) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid;ethane.

Molecular Properties

Compound Name4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid;ethane
PubChem CID143408553
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid;ethane
SMILESCC.CC.CC(=O)N(C)C1CCC(C(=O)O)CC1
InChIInChI=1S/C10H17NO3.2C2H6/c1-7(12)11(2)9-5-3-8(4-6-9)10(13)14;2*1-2/h8-9H,3-6H2,1-2H3,(H,13,14);2*1-2H3
InChIKeyOBMIGJMPOFASTC-UHFFFAOYSA-N
XLogP3.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid;ethane?
The IUPAC name of 4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid;ethane (CID 143408553) is 4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid;ethane.
What is the SMILES notation for 4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid;ethane?
The canonical SMILES for 4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid;ethane is CC.CC.CC(=O)N(C)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid;ethane?
The InChIKey is OBMIGJMPOFASTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3.2C2H6/c1-7(12)11(2)9-5-3-8(4-6-9)10(13)14;2*1-2/h8-9H,3-6H2,1-2H3,(H,13,14);2*1-2H3.
What are the key properties of 4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid;ethane?
4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid;ethane has a molecular weight of 259.39 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid;ethane is sourced from PubChem (CID 143408553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).