6-[(2R)-2-(methoxymethyl)-2-propylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

C16H22N2O4 — CID 129470689

IUPAC6-[(2R)-2-(methoxymethyl)-2-propylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCCC[C@]1(COC)CCCN1C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C16H22N2O4/c1-3-8-16(11-22-2)9-5-10-18(16)14(19)12-6-4-7-13(17-12)15(20)21/h4,6-7H,3,5,8-11H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyMKBHZPGKRFTXPS-MRXNPFEDSA-N
MW306.36 g/mol
LogP2.20
Rot. Bonds6

About 6-[(2R)-2-(methoxymethyl)-2-propylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

6-[(2R)-2-(methoxymethyl)-2-propylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 129470689) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 6-[(2R)-2-(methoxymethyl)-2-propylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2R)-2-(methoxymethyl)-2-propylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID129470689
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name6-[(2R)-2-(methoxymethyl)-2-propylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCCC[C@]1(COC)CCCN1C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C16H22N2O4/c1-3-8-16(11-22-2)9-5-10-18(16)14(19)12-6-4-7-13(17-12)15(20)21/h4,6-7H,3,5,8-11H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyMKBHZPGKRFTXPS-MRXNPFEDSA-N
XLogP2.20
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

furan-3-yl-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]methanone
CID 99837225
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]methanone
CID 99837210
(2R)-2-(methoxymethyl)-2-propyl-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 99841748
(2S)-2-(methoxymethyl)-N-[(2-methylpyrimidin-4-yl)methyl]-2-propylpyrrolidine-1-carboxamide
CID 99838832
[2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
CID 126804442
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
(2R)-2-(methoxymethyl)-N-(5-propan-2-yl-1,3-thiazol-4-yl)-2-propylpyrrolidine-1-carboxamide
CID 164639811
6-[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122057167
(2S)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 99842418
6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119181833
ethyl 4-[6-(azepane-1-carbonyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109098906
6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 86282981

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(methoxymethyl)-2-propylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2R)-2-(methoxymethyl)-2-propylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (CID 129470689) is 6-[(2R)-2-(methoxymethyl)-2-propylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2R)-2-(methoxymethyl)-2-propylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2R)-2-(methoxymethyl)-2-propylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is CCC[C@]1(COC)CCCN1C(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(2R)-2-(methoxymethyl)-2-propylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is MKBHZPGKRFTXPS-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-8-16(11-22-2)9-5-10-18(16)14(19)12-6-4-7-13(17-12)15(20)21/h4,6-7H,3,5,8-11H2,1-2H3,(H,20,21)/t16-/m1/s1.
What are the key properties of 6-[(2R)-2-(methoxymethyl)-2-propylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
6-[(2R)-2-(methoxymethyl)-2-propylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 306.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(methoxymethyl)-2-propylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 129470689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).