2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid

C15H20N2O4 — CID 122056069

IUPAC2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
SMILESCC(C)COC1CCN(C(=O)c2cc(C(=O)O)ccn2)C1
InChIInChI=1S/C15H20N2O4/c1-10(2)9-21-12-4-6-17(8-12)14(18)13-7-11(15(19)20)3-5-16-13/h3,5,7,10,12H,4,6,8-9H2,1-2H3,(H,19,20)
InChIKeySDKIDJHPDSGTMU-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.67
Rot. Bonds5

About 2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid

2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid (PubChem CID 122056069) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
PubChem CID122056069
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
SMILESCC(C)COC1CCN(C(=O)c2cc(C(=O)O)ccn2)C1
InChIInChI=1S/C15H20N2O4/c1-10(2)9-21-12-4-6-17(8-12)14(18)13-7-11(15(19)20)3-5-16-13/h3,5,7,10,12H,4,6,8-9H2,1-2H3,(H,19,20)
InChIKeySDKIDJHPDSGTMU-UHFFFAOYSA-N
XLogP1.67
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-methylbutoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055980
2-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122056346
2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055245
(3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119163703
2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055956
[3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
CID 136514652
2-[4-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 119163704
2-(3-benzylpyrrolidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055218
2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055947
2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055905
2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122056218
(2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119946020

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid (CID 122056069) is 2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid is CC(C)COC1CCN(C(=O)c2cc(C(=O)O)ccn2)C1.
What is the InChIKey of 2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid?
The InChIKey is SDKIDJHPDSGTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(2)9-21-12-4-6-17(8-12)14(18)13-7-11(15(19)20)3-5-16-13/h3,5,7,10,12H,4,6,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid?
2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122056069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).