3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid

C12H16N2O2 — CID 63147374

IUPAC3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2ccncc2)C1
InChIInChI=1S/C12H16N2O2/c1-2-12(11(15)16)5-8-14(9-12)10-3-6-13-7-4-10/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,16)
InChIKeyNLGXZDZQSOSGIB-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.77
Rot. Bonds3

About 3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid

3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid (PubChem CID 63147374) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid
PubChem CID63147374
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2ccncc2)C1
InChIInChI=1S/C12H16N2O2/c1-2-12(11(15)16)5-8-14(9-12)10-3-6-13-7-4-10/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,16)
InChIKeyNLGXZDZQSOSGIB-UHFFFAOYSA-N
XLogP1.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147504
3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 66286395
4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid
CID 18536528
1-(2-carbamoyl-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136488
3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63146595
1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63146887
1-(4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136354
4-(3,3-dimethylpyrrolidin-1-yl)pyridine
CID 67580177
1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136435
1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147166
1-(4-cyanophenyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165697
3-(cyclopropylmethyl)-1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride
CID 154899041

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid (CID 63147374) is 3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(c2ccncc2)C1.
What is the InChIKey of 3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid?
The InChIKey is NLGXZDZQSOSGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-12(11(15)16)5-8-14(9-12)10-3-6-13-7-4-10/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,16).
What are the key properties of 3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid?
3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).