4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid

C13H19NO4 — CID 66246028

IUPAC4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)C1CC=CC1)C1COCC1C(=O)O
InChIInChI=1S/C13H19NO4/c1-2-14(12(15)9-5-3-4-6-9)11-8-18-7-10(11)13(16)17/h3-4,9-11H,2,5-8H2,1H3,(H,16,17)
InChIKeyMFOPPSVHVWQFND-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.90
Rot. Bonds4

About 4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid

4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid (PubChem CID 66246028) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid
PubChem CID66246028
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)C1CC=CC1)C1COCC1C(=O)O
InChIInChI=1S/C13H19NO4/c1-2-14(12(15)9-5-3-4-6-9)11-8-18-7-10(11)13(16)17/h3-4,9-11H,2,5-8H2,1H3,(H,16,17)
InChIKeyMFOPPSVHVWQFND-UHFFFAOYSA-N
XLogP0.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247422
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 102779661
4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
CID 66247506
4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid
CID 112602262
4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66235925
4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 107175663
4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid
CID 66246837
4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245449
4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
CID 66245844
4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66246021
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid (CID 66246028) is 4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)C1CC=CC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid?
The InChIKey is MFOPPSVHVWQFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-2-14(12(15)9-5-3-4-6-9)11-8-18-7-10(11)13(16)17/h3-4,9-11H,2,5-8H2,1H3,(H,16,17).
What are the key properties of 4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid?
4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).