(6R)-2,4-dihydroxy-6-(piperidine-1-carbonyl)oxane-2-carboxylic acid

C12H19NO6 — CID 102294315

IUPAC(6R)-2,4-dihydroxy-6-(piperidine-1-carbonyl)oxane-2-carboxylic acid
SMILESO=C([C@H]1CC(O)CC(O)(C(=O)O)O1)N1CCCCC1
InChIInChI=1S/C12H19NO6/c14-8-6-9(19-12(18,7-8)11(16)17)10(15)13-4-2-1-3-5-13/h8-9,14,18H,1-7H2,(H,16,17)/t8?,9-,12?/m1/s1
InChIKeyAKIMGHZDCABNRE-NBBOBHDQSA-N
MW273.28 g/mol
LogP-0.69
Rot. Bonds2

About (6R)-2,4-dihydroxy-6-(piperidine-1-carbonyl)oxane-2-carboxylic acid

(6R)-2,4-dihydroxy-6-(piperidine-1-carbonyl)oxane-2-carboxylic acid (PubChem CID 102294315) has the molecular formula C12H19NO6 and a molecular weight of 273.28 g/mol. Its IUPAC name is (6R)-2,4-dihydroxy-6-(piperidine-1-carbonyl)oxane-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-2,4-dihydroxy-6-(piperidine-1-carbonyl)oxane-2-carboxylic acid
PubChem CID102294315
Molecular FormulaC12H19NO6
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name(6R)-2,4-dihydroxy-6-(piperidine-1-carbonyl)oxane-2-carboxylic acid
SMILESO=C([C@H]1CC(O)CC(O)(C(=O)O)O1)N1CCCCC1
InChIInChI=1S/C12H19NO6/c14-8-6-9(19-12(18,7-8)11(16)17)10(15)13-4-2-1-3-5-13/h8-9,14,18H,1-7H2,(H,16,17)/t8?,9-,12?/m1/s1
InChIKeyAKIMGHZDCABNRE-NBBOBHDQSA-N
XLogP-0.69
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-2,4-dihydroxy-6-(piperidine-1-carbonyl)oxane-2-carboxylic acid?
The IUPAC name of (6R)-2,4-dihydroxy-6-(piperidine-1-carbonyl)oxane-2-carboxylic acid (CID 102294315) is (6R)-2,4-dihydroxy-6-(piperidine-1-carbonyl)oxane-2-carboxylic acid.
What is the SMILES notation for (6R)-2,4-dihydroxy-6-(piperidine-1-carbonyl)oxane-2-carboxylic acid?
The canonical SMILES for (6R)-2,4-dihydroxy-6-(piperidine-1-carbonyl)oxane-2-carboxylic acid is O=C([C@H]1CC(O)CC(O)(C(=O)O)O1)N1CCCCC1.
What is the InChIKey of (6R)-2,4-dihydroxy-6-(piperidine-1-carbonyl)oxane-2-carboxylic acid?
The InChIKey is AKIMGHZDCABNRE-NBBOBHDQSA-N. The full InChI is InChI=1S/C12H19NO6/c14-8-6-9(19-12(18,7-8)11(16)17)10(15)13-4-2-1-3-5-13/h8-9,14,18H,1-7H2,(H,16,17)/t8?,9-,12?/m1/s1.
What are the key properties of (6R)-2,4-dihydroxy-6-(piperidine-1-carbonyl)oxane-2-carboxylic acid?
(6R)-2,4-dihydroxy-6-(piperidine-1-carbonyl)oxane-2-carboxylic acid has a molecular weight of 273.28 g/mol, XLogP of -0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,4-dihydroxy-6-(piperidine-1-carbonyl)oxane-2-carboxylic acid is sourced from PubChem (CID 102294315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).