6-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid

C14H20N2O3 — CID 112748720

IUPAC6-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESCC(O)CC1CCCN1Cc1ccc(C(=O)O)cn1
InChIInChI=1S/C14H20N2O3/c1-10(17)7-13-3-2-6-16(13)9-12-5-4-11(8-15-12)14(18)19/h4-5,8,10,13,17H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyUPXDAKDURDGBAL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.52
Rot. Bonds5

About 6-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid

6-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 112748720) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
PubChem CID112748720
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESCC(O)CC1CCCN1Cc1ccc(C(=O)O)cn1
InChIInChI=1S/C14H20N2O3/c1-10(17)7-13-3-2-6-16(13)9-12-5-4-11(8-15-12)14(18)19/h4-5,8,10,13,17H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyUPXDAKDURDGBAL-UHFFFAOYSA-N
XLogP1.52
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(5-bromo-2-pyridinyl)methyl]azepan-2-yl]propan-2-ol
CID 114338968
4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]benzoic acid
CID 114337900
1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321893
6-(2-hydroxypropyl)pyridine-3-carboxylic acid
CID 68757151
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321888
2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 71869510
3-[[2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122028646
6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 103196622
2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone
CID 97320662
[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311630
6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 60974707
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338091

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid (CID 112748720) is 6-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid is CC(O)CC1CCCN1Cc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is UPXDAKDURDGBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(17)7-13-3-2-6-16(13)9-12-5-4-11(8-15-12)14(18)19/h4-5,8,10,13,17H,2-3,6-7,9H2,1H3,(H,18,19).
What are the key properties of 6-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid?
6-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 112748720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).