azane;2-hydroxy-2-[2-(2-hydroxyethoxy)-2-oxoethyl]butanedioic acid

C8H15NO8 — CID 175234551

IUPACazane;2-hydroxy-2-[2-(2-hydroxyethoxy)-2-oxoethyl]butanedioic acid
SMILESN.O=C(O)CC(O)(CC(=O)OCCO)C(=O)O
InChIInChI=1S/C8H12O8.H3N/c9-1-2-16-6(12)4-8(15,7(13)14)3-5(10)11;/h9,15H,1-4H2,(H,10,11)(H,13,14);1H3
InChIKeyASEZKMVYCYEPBT-UHFFFAOYSA-N
MW253.21 g/mol
LogP-1.64
Rot. Bonds7

About azane;2-hydroxy-2-[2-(2-hydroxyethoxy)-2-oxoethyl]butanedioic acid

azane;2-hydroxy-2-[2-(2-hydroxyethoxy)-2-oxoethyl]butanedioic acid (PubChem CID 175234551) has the molecular formula C8H15NO8 and a molecular weight of 253.21 g/mol. Its IUPAC name is azane;2-hydroxy-2-[2-(2-hydroxyethoxy)-2-oxoethyl]butanedioic acid.

Molecular Properties

Compound Nameazane;2-hydroxy-2-[2-(2-hydroxyethoxy)-2-oxoethyl]butanedioic acid
PubChem CID175234551
Molecular FormulaC8H15NO8
Molecular Weight253.21 g/mol
Exact Mass253.08
IUPAC Nameazane;2-hydroxy-2-[2-(2-hydroxyethoxy)-2-oxoethyl]butanedioic acid
SMILESN.O=C(O)CC(O)(CC(=O)OCCO)C(=O)O
InChIInChI=1S/C8H12O8.H3N/c9-1-2-16-6(12)4-8(15,7(13)14)3-5(10)11;/h9,15H,1-4H2,(H,10,11)(H,13,14);1H3
InChIKeyASEZKMVYCYEPBT-UHFFFAOYSA-N
XLogP-1.64
TPSA176.36 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 5-1.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[2-[3-(carboxymethyl)-3-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoyl]oxyethoxy]-2-oxoethyl]-2-hydroxybutanedioic acid
CID 166905224
2-hydroxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]-2-oxoethyl]butanedioic acid
CID 87530367
2-hydroxy-2-[2-(3-hydroxypropoxy)-2-oxoethyl]butanedioic acid
CID 54268654
2-hydroxy-2-[2-(4-hydroxybutoxy)-2-oxoethyl]butanedioic acid
CID 87726394
2-[2-[4-(3,4-dicarboxy-3-hydroxybutanoyl)oxybutoxy]-2-oxoethyl]-2-hydroxybutanedioic acid
CID 87105264
2-[2-[8-(3,4-dicarboxy-3-hydroxybutanoyl)oxyoctoxy]-2-oxoethyl]-2-hydroxybutanedioic acid
CID 87104965
2-(3,4-dicarboxy-3-hydroxybutanoyl)oxyethyl-trimethylazanium;iron
CID 174882172
2-(2-ethoxy-2-oxoethyl)-2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87647310
2-[2-(7-fluoroheptoxy)-2-oxoethyl]-2-hydroxybutanedioic acid
CID 162199838
2-(2-hexacosoxy-2-oxoethyl)-2-hydroxybutanedioic acid
CID 175138993
2-hydroxy-2-(2-oxo-2-tetracosoxyethyl)butanedioic acid
CID 175141883
2-(3,4-dicarboxy-3-hydroxybutanoyl)oxyethyl-trimethylazanium;chloride;hydrate
CID 174215477

Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxy-2-[2-(2-hydroxyethoxy)-2-oxoethyl]butanedioic acid?
The IUPAC name of azane;2-hydroxy-2-[2-(2-hydroxyethoxy)-2-oxoethyl]butanedioic acid (CID 175234551) is azane;2-hydroxy-2-[2-(2-hydroxyethoxy)-2-oxoethyl]butanedioic acid.
What is the SMILES notation for azane;2-hydroxy-2-[2-(2-hydroxyethoxy)-2-oxoethyl]butanedioic acid?
The canonical SMILES for azane;2-hydroxy-2-[2-(2-hydroxyethoxy)-2-oxoethyl]butanedioic acid is N.O=C(O)CC(O)(CC(=O)OCCO)C(=O)O.
What is the InChIKey of azane;2-hydroxy-2-[2-(2-hydroxyethoxy)-2-oxoethyl]butanedioic acid?
The InChIKey is ASEZKMVYCYEPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O8.H3N/c9-1-2-16-6(12)4-8(15,7(13)14)3-5(10)11;/h9,15H,1-4H2,(H,10,11)(H,13,14);1H3.
What are the key properties of azane;2-hydroxy-2-[2-(2-hydroxyethoxy)-2-oxoethyl]butanedioic acid?
azane;2-hydroxy-2-[2-(2-hydroxyethoxy)-2-oxoethyl]butanedioic acid has a molecular weight of 253.21 g/mol, XLogP of -1.64, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxy-2-[2-(2-hydroxyethoxy)-2-oxoethyl]butanedioic acid is sourced from PubChem (CID 175234551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).