4-(2-ethylpyrrolidin-1-yl)but-2-enoic acid

C10H17NO2 — CID 76940947

IUPAC4-(2-ethylpyrrolidin-1-yl)but-2-enoic acid
SMILESCCC1CCCN1CC=CC(=O)O
InChIInChI=1S/C10H17NO2/c1-2-9-5-3-7-11(9)8-4-6-10(12)13/h4,6,9H,2-3,5,7-8H2,1H3,(H,12,13)
InChIKeyUTEUSMYRXLJRCD-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.50
Rot. Bonds4

About 4-(2-ethylpyrrolidin-1-yl)but-2-enoic acid

4-(2-ethylpyrrolidin-1-yl)but-2-enoic acid (PubChem CID 76940947) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-(2-ethylpyrrolidin-1-yl)but-2-enoic acid.

Molecular Properties

Compound Name4-(2-ethylpyrrolidin-1-yl)but-2-enoic acid
PubChem CID76940947
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-(2-ethylpyrrolidin-1-yl)but-2-enoic acid
SMILESCCC1CCCN1CC=CC(=O)O
InChIInChI=1S/C10H17NO2/c1-2-9-5-3-7-11(9)8-4-6-10(12)13/h4,6,9H,2-3,5,7-8H2,1H3,(H,12,13)
InChIKeyUTEUSMYRXLJRCD-UHFFFAOYSA-N
XLogP1.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-(2-ethylpyrrolidin-1-yl)but-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-ethylpyrrolidin-1-yl)-3-methylbut-2-enoic acid
CID 77005923
4-(3-ethylpiperidin-1-yl)but-2-enoic acid
CID 76940723
ethyl (E)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]but-2-enoate
CID 80549696
[(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol
CID 102119727
4-(4-ethylpiperidin-1-yl)but-2-enoic acid
CID 76940583
(E)-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)but-2-enoic acid
CID 79937996
4-(2-ethylazepan-1-yl)-3-methylbut-2-enoic acid
CID 104690512
1-cyclopentyl-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 104750099
1-(1-but-2-enylpyrrolidin-2-yl)propan-2-one
CID 79547073
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343
2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid
CID 61009719
1,2-diethylpyrrolidine;hydrochloride
CID 175060343

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrrolidin-1-yl)but-2-enoic acid?
The IUPAC name of 4-(2-ethylpyrrolidin-1-yl)but-2-enoic acid (CID 76940947) is 4-(2-ethylpyrrolidin-1-yl)but-2-enoic acid.
What is the SMILES notation for 4-(2-ethylpyrrolidin-1-yl)but-2-enoic acid?
The canonical SMILES for 4-(2-ethylpyrrolidin-1-yl)but-2-enoic acid is CCC1CCCN1CC=CC(=O)O.
What is the InChIKey of 4-(2-ethylpyrrolidin-1-yl)but-2-enoic acid?
The InChIKey is UTEUSMYRXLJRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-9-5-3-7-11(9)8-4-6-10(12)13/h4,6,9H,2-3,5,7-8H2,1H3,(H,12,13).
What are the key properties of 4-(2-ethylpyrrolidin-1-yl)but-2-enoic acid?
4-(2-ethylpyrrolidin-1-yl)but-2-enoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrrolidin-1-yl)but-2-enoic acid is sourced from PubChem (CID 76940947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).