1-pyridin-3-ylpyrrolidine-3-carboxylic acid

C10H12N2O2 — CID 51063831

IUPAC1-pyridin-3-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2cccnc2)C1
InChIInChI=1S/C10H12N2O2/c13-10(14)8-3-5-12(7-8)9-2-1-4-11-6-9/h1-2,4,6,8H,3,5,7H2,(H,13,14)
InChIKeyUKZLMGGDGNECGU-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.99
Rot. Bonds2

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

1-pyridin-3-ylpyrrolidine-3-carboxylic acid (PubChem CID 51063831) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-pyridin-3-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-pyridin-3-ylpyrrolidine-3-carboxylic acid
PubChem CID51063831
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-pyridin-3-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2cccnc2)C1
InChIInChI=1S/C10H12N2O2/c13-10(14)8-3-5-12(7-8)9-2-1-4-11-6-9/h1-2,4,6,8H,3,5,7H2,(H,13,14)
InChIKeyUKZLMGGDGNECGU-UHFFFAOYSA-N
XLogP0.99
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 175830226
tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate
CID 21334263
1-[9-pyridin-4-yl-2-(4-pyridin-3-ylpiperazin-1-yl)purin-6-yl]pyrrolidine-3-carboxylic acid
CID 155102687
(3S)-1-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875723
1-(4-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 175830062
(3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 129353758
(3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid
CID 124676115
(1-pyridin-3-ylpiperidin-4-yl) N,N-di(propan-2-yl)carbamate
CID 146464348
N-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide
CID 170551154
1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid
CID 119353905
1-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 122048560

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-pyridin-3-ylpyrrolidine-3-carboxylic acid (CID 51063831) is 1-pyridin-3-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-pyridin-3-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-pyridin-3-ylpyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2cccnc2)C1.
What is the InChIKey of 1-pyridin-3-ylpyrrolidine-3-carboxylic acid?
The InChIKey is UKZLMGGDGNECGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10(14)8-3-5-12(7-8)9-2-1-4-11-6-9/h1-2,4,6,8H,3,5,7H2,(H,13,14).
What are the key properties of 1-pyridin-3-ylpyrrolidine-3-carboxylic acid?
1-pyridin-3-ylpyrrolidine-3-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 51063831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).