azane;(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid

C13H26N2O7 — CID 11336234

IUPACazane;(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
SMILESCCCN(CCC)C(=O)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1O.N
InChIInChI=1S/C13H23NO7.H3N/c1-3-5-14(6-4-2)11(17)10-9(16)8(15)7-13(20,21-10)12(18)19;/h8-10,15-16,20H,3-7H2,1-2H3,(H,18,19);1H3/t8-,9+,10+,13?;/m0./s1
InChIKeyUKPCMFSNIYOBRZ-FZVBFOBWSA-N
MW322.36 g/mol
LogP-0.92
Rot. Bonds6

About azane;(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid

azane;(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 11336234) has the molecular formula C13H26N2O7 and a molecular weight of 322.36 g/mol. Its IUPAC name is azane;(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Nameazane;(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
PubChem CID11336234
Molecular FormulaC13H26N2O7
Molecular Weight322.36 g/mol
Exact Mass322.17
IUPAC Nameazane;(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
SMILESCCCN(CCC)C(=O)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1O.N
InChIInChI=1S/C13H23NO7.H3N/c1-3-5-14(6-4-2)11(17)10-9(16)8(15)7-13(20,21-10)12(18)19;/h8-10,15-16,20H,3-7H2,1-2H3,(H,18,19);1H3/t8-,9+,10+,13?;/m0./s1
InChIKeyUKPCMFSNIYOBRZ-FZVBFOBWSA-N
XLogP-0.92
TPSA162.53 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 5-0.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

6-(Dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
CID 72756610
(4S,5R,6R)-7-(dipropylamino)-4,5,6-trihydroxy-2,7-dioxoheptanoic acid
CID 90899190
(2S,3R,4S,5S,6R)-N-butyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide
CID 91323839
(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
(6R)-6-(diethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid
CID 102294318
2-Oxo-1-[(2s,3s,4r,5r)-2,3,4,5-tetrahydroxytetrahydro-2h-pyran-2-yl]-2-({[(2r,3s,4r,5r)-2,3,4,5-tetrahydroxytetrahydro-2h-pyran-2-yl]methyl}amino)ethyl acetate
CID 164687735
2-Oxo-1-[(2r,3r,4s,5r,6s)-3,4,5,6-tetrahydroxytetrahydro-2h-pyran-2-yl]-2-({[(2r,3r,4s,5r,6s)-3,4,5,6-tetrahydroxytetrahydro-2h-pyran-2-yl]methyl}amino)ethyl acetate
CID 164687736
3-ethoxy-3-oxo-2-[[(2S,3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carbonyl]amino]propanoic acid
CID 18457712
(3R,4S,5S,6R)-N-acetyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-tetradecyloxane-2-carboxamide
CID 21307593

Frequently Asked Questions

What is the IUPAC name of azane;(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid?
The IUPAC name of azane;(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid (CID 11336234) is azane;(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for azane;(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid?
The canonical SMILES for azane;(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid is CCCN(CCC)C(=O)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1O.N.
What is the InChIKey of azane;(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid?
The InChIKey is UKPCMFSNIYOBRZ-FZVBFOBWSA-N. The full InChI is InChI=1S/C13H23NO7.H3N/c1-3-5-14(6-4-2)11(17)10-9(16)8(15)7-13(20,21-10)12(18)19;/h8-10,15-16,20H,3-7H2,1-2H3,(H,18,19);1H3/t8-,9+,10+,13?;/m0./s1.
What are the key properties of azane;(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid?
azane;(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of -0.92, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 11336234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).