6-[3-methoxycarbonyl-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

C14H18N2O5 — CID 122057874

IUPAC6-[3-methoxycarbonyl-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCOCC1(C(=O)OC)CCN(c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C14H18N2O5/c1-20-9-14(13(19)21-2)6-7-16(8-14)11-5-3-4-10(15-11)12(17)18/h3-5H,6-9H2,1-2H3,(H,17,18)
InChIKeyXFKRHBSMFJONRP-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.80
Rot. Bonds5

About 6-[3-methoxycarbonyl-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

6-[3-methoxycarbonyl-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122057874) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6-[3-methoxycarbonyl-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-methoxycarbonyl-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122057874
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name6-[3-methoxycarbonyl-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCOCC1(C(=O)OC)CCN(c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C14H18N2O5/c1-20-9-14(13(19)21-2)6-7-16(8-14)11-5-3-4-10(15-11)12(17)18/h3-5H,6-9H2,1-2H3,(H,17,18)
InChIKeyXFKRHBSMFJONRP-UHFFFAOYSA-N
XLogP0.80
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122057167
6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 86282981
6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 118301996
6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid
CID 122051945
6-(4,4-dimethylazepan-1-yl)pyridine-2-carboxylic acid
CID 65283066
6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid
CID 122057759
6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid
CID 62239023
methyl 1-(6-amino-2-pyridinyl)-3-methylpyrrolidine-3-carboxylate
CID 156540993
6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid
CID 70744567
6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid
CID 122057283
methyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate
CID 126806929
methyl 6-(3,3-dimethylpiperazin-1-yl)pyridine-2-carboxylate
CID 134372059

Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxycarbonyl-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-methoxycarbonyl-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (CID 122057874) is 6-[3-methoxycarbonyl-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-methoxycarbonyl-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-methoxycarbonyl-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is COCC1(C(=O)OC)CCN(c2cccc(C(=O)O)n2)C1.
What is the InChIKey of 6-[3-methoxycarbonyl-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is XFKRHBSMFJONRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-20-9-14(13(19)21-2)6-7-16(8-14)11-5-3-4-10(15-11)12(17)18/h3-5H,6-9H2,1-2H3,(H,17,18).
What are the key properties of 6-[3-methoxycarbonyl-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
6-[3-methoxycarbonyl-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxycarbonyl-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122057874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).