2-hydrazinyl-2,3-dihydroxybutanedioic acid

C4H8N2O6 — CID 141106740

IUPAC2-hydrazinyl-2,3-dihydroxybutanedioic acid
SMILESNNC(O)(C(=O)O)C(O)C(=O)O
InChIInChI=1S/C4H8N2O6/c5-6-4(12,3(10)11)1(7)2(8)9/h1,6-7,12H,5H2,(H,8,9)(H,10,11)
InChIKeyPWOVRYFMXJAXPZ-UHFFFAOYSA-N
MW180.12 g/mol
LogP-3.33
Rot. Bonds4

About 2-hydrazinyl-2,3-dihydroxybutanedioic acid

2-hydrazinyl-2,3-dihydroxybutanedioic acid (PubChem CID 141106740) has the molecular formula C4H8N2O6 and a molecular weight of 180.12 g/mol. Its IUPAC name is 2-hydrazinyl-2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound Name2-hydrazinyl-2,3-dihydroxybutanedioic acid
PubChem CID141106740
Molecular FormulaC4H8N2O6
Molecular Weight180.12 g/mol
Exact Mass180.04
IUPAC Name2-hydrazinyl-2,3-dihydroxybutanedioic acid
SMILESNNC(O)(C(=O)O)C(O)C(=O)O
InChIInChI=1S/C4H8N2O6/c5-6-4(12,3(10)11)1(7)2(8)9/h1,6-7,12H,5H2,(H,8,9)(H,10,11)
InChIKeyPWOVRYFMXJAXPZ-UHFFFAOYSA-N
XLogP-3.33
TPSA153.11 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500180.12
LogP ≤ 5-3.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(2-aminoacetyl)amino]-2-hydroxy-3-methylbutanoic acid
CID 101080923
2-(1,2-dicarboxy-1,2-dihydroxyethoxy)-2,3-dihydroxybutanedioic acid
CID 141081857
alumane;carboxy(trihydroxy)phosphanium
CID 174760708
bis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium)
CID 5255070
2,2,4-trihydroxy-3,3-dimethylpentanedioic acid
CID 142762152
(3S)-2,2-difluoro-3-hydroxybutanedioic acid
CID 130639974
(2R)-2-amino-2-hydrazinyl-3-methylbutanoic acid
CID 175718483
(2S)-2,3-dihydroxy-4-methoxy-3-methyl-4-oxobutanoic acid
CID 175112445
(2R)-2-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 57066489
2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc
CID 87634826
(2R)-2,4-dihydroxy-3,3-dimethylbutanoic acid;guanidine
CID 88797695
2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate
CID 159015634

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-2,3-dihydroxybutanedioic acid?
The IUPAC name of 2-hydrazinyl-2,3-dihydroxybutanedioic acid (CID 141106740) is 2-hydrazinyl-2,3-dihydroxybutanedioic acid.
What is the SMILES notation for 2-hydrazinyl-2,3-dihydroxybutanedioic acid?
The canonical SMILES for 2-hydrazinyl-2,3-dihydroxybutanedioic acid is NNC(O)(C(=O)O)C(O)C(=O)O.
What is the InChIKey of 2-hydrazinyl-2,3-dihydroxybutanedioic acid?
The InChIKey is PWOVRYFMXJAXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O6/c5-6-4(12,3(10)11)1(7)2(8)9/h1,6-7,12H,5H2,(H,8,9)(H,10,11).
What are the key properties of 2-hydrazinyl-2,3-dihydroxybutanedioic acid?
2-hydrazinyl-2,3-dihydroxybutanedioic acid has a molecular weight of 180.12 g/mol, XLogP of -3.33, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 141106740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).