2,3-dihydroxybutanedioic acid;N'-hydroxybutanediamide

C8H14N2O9 — CID 174878339

IUPAC2,3-dihydroxybutanedioic acid;N'-hydroxybutanediamide
SMILESNC(=O)CCC(=O)NO.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C4H8N2O3.C4H6O6/c5-3(7)1-2-4(8)6-9;5-1(3(7)8)2(6)4(9)10/h9H,1-2H2,(H2,5,7)(H,6,8);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyOIRPGVAOHSJJAC-UHFFFAOYSA-N
MW282.21 g/mol
LogP-3.37
Rot. Bonds6

About 2,3-dihydroxybutanedioic acid;N'-hydroxybutanediamide

2,3-dihydroxybutanedioic acid;N'-hydroxybutanediamide (PubChem CID 174878339) has the molecular formula C8H14N2O9 and a molecular weight of 282.21 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;N'-hydroxybutanediamide.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;N'-hydroxybutanediamide
PubChem CID174878339
Molecular FormulaC8H14N2O9
Molecular Weight282.21 g/mol
Exact Mass282.07
IUPAC Name2,3-dihydroxybutanedioic acid;N'-hydroxybutanediamide
SMILESNC(=O)CCC(=O)NO.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C4H8N2O3.C4H6O6/c5-3(7)1-2-4(8)6-9;5-1(3(7)8)2(6)4(9)10/h9H,1-2H2,(H2,5,7)(H,6,8);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyOIRPGVAOHSJJAC-UHFFFAOYSA-N
XLogP-3.37
TPSA207.48 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.21
LogP ≤ 5-3.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxybutanediamide;hydrofluoride
CID 174508828
chloroethane;N'-hydroxybutanediamide
CID 174689229
ethanethioic S-acid;N'-hydroxybutanediamide
CID 174445258
butan-1-ol;N'-hydroxybutanediamide
CID 174644880
ethane;N'-hydroxyoctanediamide
CID 144754010
2-(2,5-dioxopyrrol-1-yl)acetic acid;N'-hydroxybutanediamide
CID 175240210
[(4-amino-4-oxobutanoyl)amino]carbamic acid
CID 57117108
(2S,3S)-2,3-dihydroxybutanedioic acid;ethane-1,2-diamine
CID 57365622
bis((2S,3S)-2,3-dihydroxybutanedioic acid);ethane-1,2-diamine
CID 133126863
CID 87661495
CID 87661495
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;N'-hydroxybutanediamide?
The IUPAC name of 2,3-dihydroxybutanedioic acid;N'-hydroxybutanediamide (CID 174878339) is 2,3-dihydroxybutanedioic acid;N'-hydroxybutanediamide.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;N'-hydroxybutanediamide?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;N'-hydroxybutanediamide is NC(=O)CCC(=O)NO.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;N'-hydroxybutanediamide?
The InChIKey is OIRPGVAOHSJJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3.C4H6O6/c5-3(7)1-2-4(8)6-9;5-1(3(7)8)2(6)4(9)10/h9H,1-2H2,(H2,5,7)(H,6,8);1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydroxybutanedioic acid;N'-hydroxybutanediamide?
2,3-dihydroxybutanedioic acid;N'-hydroxybutanediamide has a molecular weight of 282.21 g/mol, XLogP of -3.37, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;N'-hydroxybutanediamide is sourced from PubChem (CID 174878339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).