2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid

C17H29NO3 — CID 43235044

IUPAC2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCCCCCC2)CCCCC1
InChIInChI=1S/C17H29NO3/c19-15(18-11-7-2-1-3-8-12-18)13-17(14-16(20)21)9-5-4-6-10-17/h1-14H2,(H,20,21)
InChIKeyZHMJVXSVEQQPNL-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.59
Rot. Bonds4

About 2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 43235044) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID43235044
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCCCCCC2)CCCCC1
InChIInChI=1S/C17H29NO3/c19-15(18-11-7-2-1-3-8-12-18)13-17(14-16(20)21)9-5-4-6-10-17/h1-14H2,(H,20,21)
InChIKeyZHMJVXSVEQQPNL-UHFFFAOYSA-N
XLogP3.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-oxo-2-piperidin-1-ylethyl)cyclohexyl]acetic acid
CID 43426933
2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235035
2-[1-[2-(4,4-dimethylazepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 65283825
2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662901
2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235005
2-[1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 79188535
2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone
CID 82508182
2-[1-[2-oxo-2-(pyrrolidine-1-carbonylamino)ethyl]cyclopentyl]acetic acid
CID 61071340
2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
CID 6734032
2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 107214560
2-[1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
CID 112624717
2-[1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentyl]acetic acid
CID 83004766

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid (CID 43235044) is 2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)N2CCCCCCC2)CCCCC1.
What is the InChIKey of 2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is ZHMJVXSVEQQPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c19-15(18-11-7-2-1-3-8-12-18)13-17(14-16(20)21)9-5-4-6-10-17/h1-14H2,(H,20,21).
What are the key properties of 2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 295.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 43235044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).