4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid

C15H25NO4 — CID 66236752

IUPAC4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)C1CCCCCCC1)C1COCC1C(=O)O
InChIInChI=1S/C15H25NO4/c1-16(13-10-20-9-12(13)15(18)19)14(17)11-7-5-3-2-4-6-8-11/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyMEBHDCWLEJRUPM-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.90
Rot. Bonds3

About 4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid

4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 66236752) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID66236752
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)C1CCCCCCC1)C1COCC1C(=O)O
InChIInChI=1S/C15H25NO4/c1-16(13-10-20-9-12(13)15(18)19)14(17)11-7-5-3-2-4-6-8-11/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyMEBHDCWLEJRUPM-UHFFFAOYSA-N
XLogP1.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-carbamoylpiperidine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66235535
4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66235925
4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175661
4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid
CID 66236548
4-[methyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266721
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid
CID 66238217
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid
CID 104967966
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
4-[(2-ethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66265512
4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236007
4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66265733

Frequently Asked Questions

What is the IUPAC name of 4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid (CID 66236752) is 4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid is CN(C(=O)C1CCCCCCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is MEBHDCWLEJRUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-16(13-10-20-9-12(13)15(18)19)14(17)11-7-5-3-2-4-6-8-11/h11-13H,2-10H2,1H3,(H,18,19).
What are the key properties of 4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid?
4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66236752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).