(6R)-6-(dipropylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid

C13H23NO6 — CID 102294313

IUPAC(6R)-6-(dipropylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid
SMILESCCCN(CCC)C(=O)[C@H]1CC(O)CC(O)(C(=O)O)O1
InChIInChI=1S/C13H23NO6/c1-3-5-14(6-4-2)11(16)10-7-9(15)8-13(19,20-10)12(17)18/h9-10,15,19H,3-8H2,1-2H3,(H,17,18)/t9?,10-,13?/m1/s1
InChIKeyNUCUZMCVDDUYBG-RUETXSTFSA-N
MW289.33 g/mol
LogP-0.05
Rot. Bonds6

About (6R)-6-(dipropylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid

(6R)-6-(dipropylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid (PubChem CID 102294313) has the molecular formula C13H23NO6 and a molecular weight of 289.33 g/mol. Its IUPAC name is (6R)-6-(dipropylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-6-(dipropylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid
PubChem CID102294313
Molecular FormulaC13H23NO6
Molecular Weight289.33 g/mol
Exact Mass289.15
IUPAC Name(6R)-6-(dipropylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid
SMILESCCCN(CCC)C(=O)[C@H]1CC(O)CC(O)(C(=O)O)O1
InChIInChI=1S/C13H23NO6/c1-3-5-14(6-4-2)11(16)10-7-9(15)8-13(19,20-10)12(17)18/h9-10,15,19H,3-8H2,1-2H3,(H,17,18)/t9?,10-,13?/m1/s1
InChIKeyNUCUZMCVDDUYBG-RUETXSTFSA-N
XLogP-0.05
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(dipropylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid?
The IUPAC name of (6R)-6-(dipropylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid (CID 102294313) is (6R)-6-(dipropylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (6R)-6-(dipropylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid?
The canonical SMILES for (6R)-6-(dipropylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid is CCCN(CCC)C(=O)[C@H]1CC(O)CC(O)(C(=O)O)O1.
What is the InChIKey of (6R)-6-(dipropylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid?
The InChIKey is NUCUZMCVDDUYBG-RUETXSTFSA-N. The full InChI is InChI=1S/C13H23NO6/c1-3-5-14(6-4-2)11(16)10-7-9(15)8-13(19,20-10)12(17)18/h9-10,15,19H,3-8H2,1-2H3,(H,17,18)/t9?,10-,13?/m1/s1.
What are the key properties of (6R)-6-(dipropylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid?
(6R)-6-(dipropylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(dipropylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 102294313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).