(2R,3S)-2-piperidin-4-yloxolane-3-carboxylic acid

C10H17NO3 — CID 124710512

IUPAC(2R,3S)-2-piperidin-4-yloxolane-3-carboxylic acid
SMILESO=C(O)[C@H]1CCO[C@@H]1C1CCNCC1
InChIInChI=1S/C10H17NO3/c12-10(13)8-3-6-14-9(8)7-1-4-11-5-2-7/h7-9,11H,1-6H2,(H,12,13)/t8-,9+/m0/s1
InChIKeyWOLODJMBDSVGDP-DTWKUNHWSA-N
MW199.25 g/mol
LogP0.48
Rot. Bonds2

About (2R,3S)-2-piperidin-4-yloxolane-3-carboxylic acid

(2R,3S)-2-piperidin-4-yloxolane-3-carboxylic acid (PubChem CID 124710512) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2R,3S)-2-piperidin-4-yloxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-2-piperidin-4-yloxolane-3-carboxylic acid
PubChem CID124710512
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2R,3S)-2-piperidin-4-yloxolane-3-carboxylic acid
SMILESO=C(O)[C@H]1CCO[C@@H]1C1CCNCC1
InChIInChI=1S/C10H17NO3/c12-10(13)8-3-6-14-9(8)7-1-4-11-5-2-7/h7-9,11H,1-6H2,(H,12,13)/t8-,9+/m0/s1
InChIKeyWOLODJMBDSVGDP-DTWKUNHWSA-N
XLogP0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-piperidin-4-yloxolane-3-carboxylic acid?
The IUPAC name of (2R,3S)-2-piperidin-4-yloxolane-3-carboxylic acid (CID 124710512) is (2R,3S)-2-piperidin-4-yloxolane-3-carboxylic acid.
What is the SMILES notation for (2R,3S)-2-piperidin-4-yloxolane-3-carboxylic acid?
The canonical SMILES for (2R,3S)-2-piperidin-4-yloxolane-3-carboxylic acid is O=C(O)[C@H]1CCO[C@@H]1C1CCNCC1.
What is the InChIKey of (2R,3S)-2-piperidin-4-yloxolane-3-carboxylic acid?
The InChIKey is WOLODJMBDSVGDP-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H17NO3/c12-10(13)8-3-6-14-9(8)7-1-4-11-5-2-7/h7-9,11H,1-6H2,(H,12,13)/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-2-piperidin-4-yloxolane-3-carboxylic acid?
(2R,3S)-2-piperidin-4-yloxolane-3-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-piperidin-4-yloxolane-3-carboxylic acid is sourced from PubChem (CID 124710512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).