azane;2-ethoxy-3-hydroxypentane-1,2,3-tricarboxylic acid

C10H19NO8 — CID 174435504

IUPACazane;2-ethoxy-3-hydroxypentane-1,2,3-tricarboxylic acid
SMILESCCOC(CC(=O)O)(C(=O)O)C(O)(CC)C(=O)O.N
InChIInChI=1S/C10H16O8.H3N/c1-3-9(17,7(13)14)10(8(15)16,18-4-2)5-6(11)12;/h17H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16);1H3
InChIKeyKFDGFNLYNZZAJH-UHFFFAOYSA-N
MW281.26 g/mol
LogP-0.29
Rot. Bonds8

About azane;2-ethoxy-3-hydroxypentane-1,2,3-tricarboxylic acid

azane;2-ethoxy-3-hydroxypentane-1,2,3-tricarboxylic acid (PubChem CID 174435504) has the molecular formula C10H19NO8 and a molecular weight of 281.26 g/mol. Its IUPAC name is azane;2-ethoxy-3-hydroxypentane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Nameazane;2-ethoxy-3-hydroxypentane-1,2,3-tricarboxylic acid
PubChem CID174435504
Molecular FormulaC10H19NO8
Molecular Weight281.26 g/mol
Exact Mass281.11
IUPAC Nameazane;2-ethoxy-3-hydroxypentane-1,2,3-tricarboxylic acid
SMILESCCOC(CC(=O)O)(C(=O)O)C(O)(CC)C(=O)O.N
InChIInChI=1S/C10H16O8.H3N/c1-3-9(17,7(13)14)10(8(15)16,18-4-2)5-6(11)12;/h17H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16);1H3
InChIKeyKFDGFNLYNZZAJH-UHFFFAOYSA-N
XLogP-0.29
TPSA176.36 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-3-ethylpentane-1,2,3-tricarboxylic acid
CID 18458326
2-(2-ethoxy-2-oxoethyl)-2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87647310
diethyl 2,3-diethoxy-2,3-diethylbutanedioate
CID 139989312
3-ethyl-2-hydroxy-5-methoxy-4-methoxycarbonyl-5-oxopentane-1,2,3-tricarboxylic acid
CID 87386089
ethane;2-(2-ethoxy-2-oxoethyl)-2-hydroxybutanedioic acid
CID 173074280
2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid
CID 83694809
bis(3-ethyl-2-hydroxypentane-1,2,3-tricarboxylic acid);propanoic acid
CID 175379209
(2R)-2-ethyl-2-hydroxybutanedioic acid
CID 5280519
2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol
CID 134329051
3-ethoxycarbonyl-2,3-dihydroxy-2-propylhexanoic acid
CID 174855975
2-(3-acetyloxycarbonylpentan-3-yl)-2-ethoxybutanedioic acid;2-butoxy-3-butylheptane-1,2,3-tricarboxylic acid
CID 87355375
3-ethyl-3-hydroxypentanoic acid
CID 11513768

Frequently Asked Questions

What is the IUPAC name of azane;2-ethoxy-3-hydroxypentane-1,2,3-tricarboxylic acid?
The IUPAC name of azane;2-ethoxy-3-hydroxypentane-1,2,3-tricarboxylic acid (CID 174435504) is azane;2-ethoxy-3-hydroxypentane-1,2,3-tricarboxylic acid.
What is the SMILES notation for azane;2-ethoxy-3-hydroxypentane-1,2,3-tricarboxylic acid?
The canonical SMILES for azane;2-ethoxy-3-hydroxypentane-1,2,3-tricarboxylic acid is CCOC(CC(=O)O)(C(=O)O)C(O)(CC)C(=O)O.N.
What is the InChIKey of azane;2-ethoxy-3-hydroxypentane-1,2,3-tricarboxylic acid?
The InChIKey is KFDGFNLYNZZAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O8.H3N/c1-3-9(17,7(13)14)10(8(15)16,18-4-2)5-6(11)12;/h17H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16);1H3.
What are the key properties of azane;2-ethoxy-3-hydroxypentane-1,2,3-tricarboxylic acid?
azane;2-ethoxy-3-hydroxypentane-1,2,3-tricarboxylic acid has a molecular weight of 281.26 g/mol, XLogP of -0.29, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-ethoxy-3-hydroxypentane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 174435504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).