4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid

C13H19NO4 — CID 66235925

IUPAC4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)C1CC=CCC1)C1COCC1C(=O)O
InChIInChI=1S/C13H19NO4/c1-14(11-8-18-7-10(11)13(16)17)12(15)9-5-3-2-4-6-9/h2-3,9-11H,4-8H2,1H3,(H,16,17)
InChIKeySUJMQIPFTKFUFD-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.90
Rot. Bonds3

About 4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid

4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 66235925) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID66235925
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)C1CC=CCC1)C1COCC1C(=O)O
InChIInChI=1S/C13H19NO4/c1-14(11-8-18-7-10(11)13(16)17)12(15)9-5-3-2-4-6-9/h2-3,9-11H,4-8H2,1H3,(H,16,17)
InChIKeySUJMQIPFTKFUFD-UHFFFAOYSA-N
XLogP0.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236752
4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid
CID 66236548
4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246028
4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175661
4-[methyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266721
4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid
CID 66235943
4-[(1-carbamoylpiperidine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66235535
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid
CID 24696987
4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid
CID 66235348
4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236007
4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid
CID 66238217

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid (CID 66235925) is 4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid is CN(C(=O)C1CC=CCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is SUJMQIPFTKFUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-14(11-8-18-7-10(11)13(16)17)12(15)9-5-3-2-4-6-9/h2-3,9-11H,4-8H2,1H3,(H,16,17).
What are the key properties of 4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid?
4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).