3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid

C14H18N2O3 — CID 63146595

IUPAC3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Cc2ccncc2)C1
InChIInChI=1S/C14H18N2O3/c1-2-14(13(18)19)5-8-16(10-14)12(17)9-11-3-6-15-7-4-11/h3-4,6-7H,2,5,8-10H2,1H3,(H,18,19)
InChIKeyYKGWLCIPEIFBKQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.34
Rot. Bonds4

About 3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid (PubChem CID 63146595) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid
PubChem CID63146595
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Cc2ccncc2)C1
InChIInChI=1S/C14H18N2O3/c1-2-14(13(18)19)5-8-16(10-14)12(17)9-11-3-6-15-7-4-11/h3-4,6-7H,2,5,8-10H2,1H3,(H,18,19)
InChIKeyYKGWLCIPEIFBKQ-UHFFFAOYSA-N
XLogP1.34
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-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

1-[2-(4-bromophenyl)acetyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63146503
3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63145264
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 63147374
1-[2-(3-bromophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134622
3-ethyl-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 64949282
4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 63125200
3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 80722620
3-ethyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63146290
1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134129
3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 79139700
1-[2-(3-bromophenyl)acetyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63146140

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid (CID 63146595) is 3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)Cc2ccncc2)C1.
What is the InChIKey of 3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YKGWLCIPEIFBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-14(13(18)19)5-8-16(10-14)12(17)9-11-3-6-15-7-4-11/h3-4,6-7H,2,5,8-10H2,1H3,(H,18,19).
What are the key properties of 3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).