4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

C13H20N2O3 — CID 113418295

IUPAC4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCCC1CCN(C(=O)NC2C=CC(C(=O)O)C2)C1
InChIInChI=1S/C13H20N2O3/c1-2-9-5-6-15(8-9)13(18)14-11-4-3-10(7-11)12(16)17/h3-4,9-11H,2,5-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyWIGXSMPEFCDGTP-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.46
Rot. Bonds3

About 4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 113418295) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID113418295
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCCC1CCN(C(=O)NC2C=CC(C(=O)O)C2)C1
InChIInChI=1S/C13H20N2O3/c1-2-9-5-6-15(8-9)13(18)14-11-4-3-10(7-11)12(16)17/h3-4,9-11H,2,5-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyWIGXSMPEFCDGTP-UHFFFAOYSA-N
XLogP1.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216190
4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 102961866
4-[(4-methylazepane-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216790
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79215858
3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 113418310
4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191671
4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79211540
4-[[(2R)-2-aminopentanoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 107570050
4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191805
4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216361
N-(3,3-dimethoxycyclobutyl)-3-ethylpyrrolidine-1-carboxamide
CID 138014357
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 102727428

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 113418295) is 4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is CCC1CCN(C(=O)NC2C=CC(C(=O)O)C2)C1.
What is the InChIKey of 4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is WIGXSMPEFCDGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-9-5-6-15(8-9)13(18)14-11-4-3-10(7-11)12(16)17/h3-4,9-11H,2,5-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 113418295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).