2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid

C14H21NO4 — CID 61015441

IUPAC2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid
SMILESO=C(O)C(C1CCCCC1)N1C(=O)CCCCC1=O
InChIInChI=1S/C14H21NO4/c16-11-8-4-5-9-12(17)15(11)13(14(18)19)10-6-2-1-3-7-10/h10,13H,1-9H2,(H,18,19)
InChIKeyWCQSDQJLGPJDPC-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.95
Rot. Bonds3

About 2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid

2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid (PubChem CID 61015441) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid
PubChem CID61015441
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid
SMILESO=C(O)C(C1CCCCC1)N1C(=O)CCCCC1=O
InChIInChI=1S/C14H21NO4/c16-11-8-4-5-9-12(17)15(11)13(14(18)19)10-6-2-1-3-7-10/h10,13H,1-9H2,(H,18,19)
InChIKeyWCQSDQJLGPJDPC-UHFFFAOYSA-N
XLogP1.95
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)acetic acid
CID 175668471
2-(2,7-dioxoazepan-1-yl)propanoic acid
CID 43446708
2-cyclohexyl-2-pyrrolidin-1-ylacetic acid
CID 43803517
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-cyclohexylacetic acid
CID 168695813
2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716627
2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168661742
2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid
CID 15236441
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-cyclopentylacetic acid
CID 168506710
(2S)-2-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)acetic acid
CID 172878120
2-cyclopropyl-2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetic acid
CID 64835910
2-(2,6-dioxopiperidin-1-yl)-2-fluoroacetic acid
CID 81296581
2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid
CID 79695044

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid (CID 61015441) is 2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid is O=C(O)C(C1CCCCC1)N1C(=O)CCCCC1=O.
What is the InChIKey of 2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid?
The InChIKey is WCQSDQJLGPJDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c16-11-8-4-5-9-12(17)15(11)13(14(18)19)10-6-2-1-3-7-10/h10,13H,1-9H2,(H,18,19).
What are the key properties of 2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid?
2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid has a molecular weight of 267.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid is sourced from PubChem (CID 61015441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).