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

C12H16N2O3 — CID 129371025

IUPAC6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESCOC[C@H]1CCN(c2ccc(C(=O)O)cn2)C1
InChIInChI=1S/C12H16N2O3/c1-17-8-9-4-5-14(7-9)11-3-2-10(6-13-11)12(15)16/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyWHRKHPHGSAZOKR-VIFPVBQESA-N
MW236.27 g/mol
LogP1.25
Rot. Bonds4

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

6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 129371025) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
PubChem CID129371025
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESCOC[C@H]1CCN(c2ccc(C(=O)O)cn2)C1
InChIInChI=1S/C12H16N2O3/c1-17-8-9-4-5-14(7-9)11-3-2-10(6-13-11)12(15)16/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyWHRKHPHGSAZOKR-VIFPVBQESA-N
XLogP1.25
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone
CID 28957540
6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445649
6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid
CID 121201375
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 114059817
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 107227673
6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129495333
(E)-3-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]prop-2-enoic acid
CID 80632883
ethyl 6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 62371889
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
CID 63971176
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285
ethyl 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 115657940

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (CID 129371025) is 6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is COC[C@H]1CCN(c2ccc(C(=O)O)cn2)C1.
What is the InChIKey of 6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is WHRKHPHGSAZOKR-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-8-9-4-5-14(7-9)11-3-2-10(6-13-11)12(15)16/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of 6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 129371025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).