1-(cyclohexanecarbonyl)azocane-2-carboxylic acid

C15H25NO3 — CID 114239738

IUPAC1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
SMILESO=C(O)C1CCCCCCN1C(=O)C1CCCCC1
InChIInChI=1S/C15H25NO3/c17-14(12-8-4-3-5-9-12)16-11-7-2-1-6-10-13(16)15(18)19/h12-13H,1-11H2,(H,18,19)
InChIKeyGSYKHKWAVNXUDC-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.81
Rot. Bonds2

About 1-(cyclohexanecarbonyl)azocane-2-carboxylic acid

1-(cyclohexanecarbonyl)azocane-2-carboxylic acid (PubChem CID 114239738) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)azocane-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
PubChem CID114239738
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
SMILESO=C(O)C1CCCCCCN1C(=O)C1CCCCC1
InChIInChI=1S/C15H25NO3/c17-14(12-8-4-3-5-9-12)16-11-7-2-1-6-10-13(16)15(18)19/h12-13H,1-11H2,(H,18,19)
InChIKeyGSYKHKWAVNXUDC-UHFFFAOYSA-N
XLogP2.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64560305
(2R)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 79034818
(2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 66262956
1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 136558034
1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 43171073
(2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66262849
1-(oxane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 43209805
1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 61158042

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)azocane-2-carboxylic acid?
The IUPAC name of 1-(cyclohexanecarbonyl)azocane-2-carboxylic acid (CID 114239738) is 1-(cyclohexanecarbonyl)azocane-2-carboxylic acid.
What is the SMILES notation for 1-(cyclohexanecarbonyl)azocane-2-carboxylic acid?
The canonical SMILES for 1-(cyclohexanecarbonyl)azocane-2-carboxylic acid is O=C(O)C1CCCCCCN1C(=O)C1CCCCC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)azocane-2-carboxylic acid?
The InChIKey is GSYKHKWAVNXUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-14(12-8-4-3-5-9-12)16-11-7-2-1-6-10-13(16)15(18)19/h12-13H,1-11H2,(H,18,19).
What are the key properties of 1-(cyclohexanecarbonyl)azocane-2-carboxylic acid?
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)azocane-2-carboxylic acid is sourced from PubChem (CID 114239738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).