2-hydroxybutanedioic acid;2-(2-hydroxyethylamino)ethanol

C8H17NO7 — CID 23460146

IUPAC2-hydroxybutanedioic acid;2-(2-hydroxyethylamino)ethanol
SMILESO=C(O)CC(O)C(=O)O.OCCNCCO
InChIInChI=1S/C4H11NO2.C4H6O5/c6-3-1-5-2-4-7;5-2(4(8)9)1-3(6)7/h5-7H,1-4H2;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyJZRCOIIEOAJTLT-UHFFFAOYSA-N
MW239.22 g/mol
LogP-2.53
Rot. Bonds7

About 2-hydroxybutanedioic acid;2-(2-hydroxyethylamino)ethanol

2-hydroxybutanedioic acid;2-(2-hydroxyethylamino)ethanol (PubChem CID 23460146) has the molecular formula C8H17NO7 and a molecular weight of 239.22 g/mol. Its IUPAC name is 2-hydroxybutanedioic acid;2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name2-hydroxybutanedioic acid;2-(2-hydroxyethylamino)ethanol
PubChem CID23460146
Molecular FormulaC8H17NO7
Molecular Weight239.22 g/mol
Exact Mass239.10
IUPAC Name2-hydroxybutanedioic acid;2-(2-hydroxyethylamino)ethanol
SMILESO=C(O)CC(O)C(=O)O.OCCNCCO
InChIInChI=1S/C4H11NO2.C4H6O5/c6-3-1-5-2-4-7;5-2(4(8)9)1-3(6)7/h5-7H,1-4H2;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyJZRCOIIEOAJTLT-UHFFFAOYSA-N
XLogP-2.53
TPSA147.32 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.22
LogP ≤ 5-2.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-hydroxybutanedioic acid;2-(2-hydroxyethylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide
CID 173385796
carbonic acid;2-hydroxybutanedioic acid
CID 160732172
cobalt;2-hydroxybutanedioic acid
CID 87544145
2-hydroxybutanedioic acid;iron
CID 174146167
(2S)-2-hydroxy-3-(2-hydroxyethylamino)propanoic acid
CID 131101909
2-hydroxybutanedioic acid;hydrate;hydrochloride
CID 172717640
azane;bismuthane;2-hydroxybutanedioic acid
CID 173447177
bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-hydroxybutanedioic acid
CID 173189047
boric acid;bis(2-hydroxybutanedioic acid)
CID 175869930
carbonic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 163568127
2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174790415
2-aminoacetic acid;2-hydroxybutanedioic acid
CID 87750134

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutanedioic acid;2-(2-hydroxyethylamino)ethanol?
The IUPAC name of 2-hydroxybutanedioic acid;2-(2-hydroxyethylamino)ethanol (CID 23460146) is 2-hydroxybutanedioic acid;2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for 2-hydroxybutanedioic acid;2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for 2-hydroxybutanedioic acid;2-(2-hydroxyethylamino)ethanol is O=C(O)CC(O)C(=O)O.OCCNCCO.
What is the InChIKey of 2-hydroxybutanedioic acid;2-(2-hydroxyethylamino)ethanol?
The InChIKey is JZRCOIIEOAJTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.C4H6O5/c6-3-1-5-2-4-7;5-2(4(8)9)1-3(6)7/h5-7H,1-4H2;2,5H,1H2,(H,6,7)(H,8,9).
What are the key properties of 2-hydroxybutanedioic acid;2-(2-hydroxyethylamino)ethanol?
2-hydroxybutanedioic acid;2-(2-hydroxyethylamino)ethanol has a molecular weight of 239.22 g/mol, XLogP of -2.53, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutanedioic acid;2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 23460146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).