5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carboxylic acid

C13H23NO4 — CID 107227845

IUPAC5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(CN2CCCC(CCO)C2)O1
InChIInChI=1S/C13H23NO4/c15-7-5-10-2-1-6-14(8-10)9-11-3-4-12(18-11)13(16)17/h10-12,15H,1-9H2,(H,16,17)
InChIKeyNARLAIXBXUEFCG-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.71
Rot. Bonds5

About 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carboxylic acid

5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carboxylic acid (PubChem CID 107227845) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carboxylic acid
PubChem CID107227845
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(CN2CCCC(CCO)C2)O1
InChIInChI=1S/C13H23NO4/c15-7-5-10-2-1-6-14(8-10)9-11-3-4-12(18-11)13(16)17/h10-12,15H,1-9H2,(H,16,17)
InChIKeyNARLAIXBXUEFCG-UHFFFAOYSA-N
XLogP0.71
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azocan-1-ylmethyl)oxolane-2-carboxylic acid
CID 62300127
5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]oxolane-2-carboxylic acid
CID 81204835
2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]prop-2-enoic acid
CID 107227868
2-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 103137712
2-[1-[(4-methylmorpholin-2-yl)methyl]piperidin-3-yl]ethanol
CID 112734129
(2S,5R)-5-[(4-methylpiperidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 94390582
(2S,5R)-5-[(4-ethylpiperazin-1-yl)methyl]oxolane-2-carboxylic acid
CID 178190652
5-[(4-ethylpiperazin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62300814
5-[(2-ethylmorpholin-4-yl)methyl]oxolane-2-carboxylic acid
CID 62299244
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 63170529
5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62298901
5-[[4-(dimethylamino)piperidin-1-yl]methyl]oxolane-2-carboxylic acid
CID 62299960

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carboxylic acid (CID 107227845) is 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(CN2CCCC(CCO)C2)O1.
What is the InChIKey of 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carboxylic acid?
The InChIKey is NARLAIXBXUEFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c15-7-5-10-2-1-6-14(8-10)9-11-3-4-12(18-11)13(16)17/h10-12,15H,1-9H2,(H,16,17).
What are the key properties of 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carboxylic acid?
5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 107227845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).