4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

C15H20N2O3 — CID 21062067

IUPAC4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCC(C)CC1CCCN1C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-10(2)8-12-4-3-7-17(12)14(18)11-5-6-16-13(9-11)15(19)20/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyQMBYCSKUNVNMQQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.43
Rot. Bonds4

About 4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 21062067) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID21062067
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCC(C)CC1CCCN1C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-10(2)8-12-4-3-7-17(12)14(18)11-5-6-16-13(9-11)15(19)20/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyQMBYCSKUNVNMQQ-UHFFFAOYSA-N
XLogP2.43
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182996
4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119180829
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
2-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 21061889
(2-chloro-4-pyridinyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 97081158
[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2-methylsulfanyl-4-pyridinyl)methanone
CID 111472354
[2-(dimethylamino)-4-pyridinyl]-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472375
(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974569
(2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
CID 109090134
4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 113384996
4-[4-(2-methylpropanoyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119181875

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (CID 21062067) is 4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is CC(C)CC1CCCN1C(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is QMBYCSKUNVNMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)8-12-4-3-7-17(12)14(18)11-5-6-16-13(9-11)15(19)20/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,19,20).
What are the key properties of 4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 21062067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).