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

C9H15NO6 — CID 102294317

IUPAC(6R)-6-(dimethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid
SMILESCN(C)C(=O)[C@H]1CC(O)CC(O)(C(=O)O)O1
InChIInChI=1S/C9H15NO6/c1-10(2)7(12)6-3-5(11)4-9(15,16-6)8(13)14/h5-6,11,15H,3-4H2,1-2H3,(H,13,14)/t5?,6-,9?/m1/s1
InChIKeyBGTLAVVXJMQLOS-PDFHVUPVSA-N
MW233.22 g/mol
LogP-1.61
Rot. Bonds2

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

(6R)-6-(dimethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid (PubChem CID 102294317) has the molecular formula C9H15NO6 and a molecular weight of 233.22 g/mol. Its IUPAC name is (6R)-6-(dimethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-6-(dimethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid
PubChem CID102294317
Molecular FormulaC9H15NO6
Molecular Weight233.22 g/mol
Exact Mass233.09
IUPAC Name(6R)-6-(dimethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid
SMILESCN(C)C(=O)[C@H]1CC(O)CC(O)(C(=O)O)O1
InChIInChI=1S/C9H15NO6/c1-10(2)7(12)6-3-5(11)4-9(15,16-6)8(13)14/h5-6,11,15H,3-4H2,1-2H3,(H,13,14)/t5?,6-,9?/m1/s1
InChIKeyBGTLAVVXJMQLOS-PDFHVUPVSA-N
XLogP-1.61
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
CID 72756610
(6R)-6-(dipropylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid
CID 102294313
(6R)-2,4-dihydroxy-6-(piperidine-1-carbonyl)oxane-2-carboxylic acid
CID 102294315
(6R)-2,4-dihydroxy-6-[methyl(propyl)carbamoyl]oxane-2-carboxylic acid
CID 102294316
(6R)-6-(diethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid
CID 102294318
4,5-dihydroxy-2-methoxy-N,N-dimethyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide
CID 20683780
azane;(4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
CID 11198046
(4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
CID 11198047
(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
CID 11220459
azane;(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
CID 11336234
ethyl (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylate
CID 11416335
ethyl (4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylate
CID 11439012

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(dimethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid?
The IUPAC name of (6R)-6-(dimethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid (CID 102294317) is (6R)-6-(dimethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (6R)-6-(dimethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid?
The canonical SMILES for (6R)-6-(dimethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid is CN(C)C(=O)[C@H]1CC(O)CC(O)(C(=O)O)O1.
What is the InChIKey of (6R)-6-(dimethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid?
The InChIKey is BGTLAVVXJMQLOS-PDFHVUPVSA-N. The full InChI is InChI=1S/C9H15NO6/c1-10(2)7(12)6-3-5(11)4-9(15,16-6)8(13)14/h5-6,11,15H,3-4H2,1-2H3,(H,13,14)/t5?,6-,9?/m1/s1.
What are the key properties of (6R)-6-(dimethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid?
(6R)-6-(dimethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of -1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(dimethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 102294317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).