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

C11H19NO6 — CID 102294318

IUPAC(6R)-6-(diethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid
SMILESCCN(CC)C(=O)[C@H]1CC(O)CC(O)(C(=O)O)O1
InChIInChI=1S/C11H19NO6/c1-3-12(4-2)9(14)8-5-7(13)6-11(17,18-8)10(15)16/h7-8,13,17H,3-6H2,1-2H3,(H,15,16)/t7?,8-,11?/m1/s1
InChIKeyHSQXYZLWLDEPGD-JKDSDDBFSA-N
MW261.27 g/mol
LogP-0.83
Rot. Bonds4

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

(6R)-6-(diethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid (PubChem CID 102294318) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is (6R)-6-(diethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-6-(diethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid
PubChem CID102294318
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name(6R)-6-(diethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid
SMILESCCN(CC)C(=O)[C@H]1CC(O)CC(O)(C(=O)O)O1
InChIInChI=1S/C11H19NO6/c1-3-12(4-2)9(14)8-5-7(13)6-11(17,18-8)10(15)16/h7-8,13,17H,3-6H2,1-2H3,(H,15,16)/t7?,8-,11?/m1/s1
InChIKeyHSQXYZLWLDEPGD-JKDSDDBFSA-N
XLogP-0.83
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S,5R,6R)-5-[acetyl-(2-hydroxyacetyl)amino]-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 22840023
N-acetyl sialic acid
CID 129628692
Diacetylneuraminic acid
CID 129635639
N-glycolyl sialic acid
CID 129716266
N-propanoyl sialic acid
CID 129856498
6-[[Acetyl(ethyl)amino]methyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid
CID 90785425
6-[[Acetyl(methyl)amino]methyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid
CID 90963052
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-(dimethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid
CID 102294317

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(diethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid?
The IUPAC name of (6R)-6-(diethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid (CID 102294318) is (6R)-6-(diethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (6R)-6-(diethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid?
The canonical SMILES for (6R)-6-(diethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid is CCN(CC)C(=O)[C@H]1CC(O)CC(O)(C(=O)O)O1.
What is the InChIKey of (6R)-6-(diethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid?
The InChIKey is HSQXYZLWLDEPGD-JKDSDDBFSA-N. The full InChI is InChI=1S/C11H19NO6/c1-3-12(4-2)9(14)8-5-7(13)6-11(17,18-8)10(15)16/h7-8,13,17H,3-6H2,1-2H3,(H,15,16)/t7?,8-,11?/m1/s1.
What are the key properties of (6R)-6-(diethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid?
(6R)-6-(diethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid has a molecular weight of 261.27 g/mol, XLogP of -0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(diethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 102294318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).