4-ethyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-2-carboxylic acid

C14H24N2O3 — CID 114429627

IUPAC4-ethyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)CC2CCCN2)C(C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-2-10-5-7-16(12(8-10)14(18)19)13(17)9-11-4-3-6-15-11/h10-12,15H,2-9H2,1H3,(H,18,19)
InChIKeyFVLXAGYRRAFPDB-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.23
Rot. Bonds4

About 4-ethyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-2-carboxylic acid

4-ethyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-2-carboxylic acid (PubChem CID 114429627) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-ethyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-2-carboxylic acid
PubChem CID114429627
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-ethyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)CC2CCCN2)C(C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-2-10-5-7-16(12(8-10)14(18)19)13(17)9-11-4-3-6-15-11/h10-12,15H,2-9H2,1H3,(H,18,19)
InChIKeyFVLXAGYRRAFPDB-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-2-carboxylic 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-ethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-2-carboxylic acid
CID 114429640
4-ethyl-1-(2-morpholin-3-ylacetyl)piperidine-2-carboxylic acid
CID 114429784
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
4-ethyl-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid
CID 114427347
4-ethyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid
CID 114429674
4-ethyl-1-(2-methylsulfonylacetyl)piperidine-2-carboxylic acid
CID 114427207
1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid
CID 114426976
4-ethyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid
CID 114427038
1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427375
1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62205259
1-(2-pyrrolidin-2-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119726913
1-(2,3-dimethylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62122858

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-2-carboxylic acid (CID 114429627) is 4-ethyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-2-carboxylic acid is CCC1CCN(C(=O)CC2CCCN2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-2-carboxylic acid?
The InChIKey is FVLXAGYRRAFPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-10-5-7-16(12(8-10)14(18)19)13(17)9-11-4-3-6-15-11/h10-12,15H,2-9H2,1H3,(H,18,19).
What are the key properties of 4-ethyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-2-carboxylic acid?
4-ethyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114429627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).