2,3-dihydroxybutanedioic acid;bis(2-(4-propylphenoxy)acetohydrazide)

C26H38N4O10 — CID 19169516

IUPAC2,3-dihydroxybutanedioic acid;bis(2-(4-propylphenoxy)acetohydrazide)
SMILESCCCc1ccc(OCC(=O)NN)cc1.CCCc1ccc(OCC(=O)NN)cc1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/2C11H16N2O2.C4H6O6/c2*1-2-3-9-4-6-10(7-5-9)15-8-11(14)13-12;5-1(3(7)8)2(6)4(9)10/h2*4-7H,2-3,8,12H2,1H3,(H,13,14);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyQAGYYYQZSVAYPQ-UHFFFAOYSA-N
MW566.61 g/mol
LogP-0.11
Rot. Bonds13

About 2,3-dihydroxybutanedioic acid;bis(2-(4-propylphenoxy)acetohydrazide)

2,3-dihydroxybutanedioic acid;bis(2-(4-propylphenoxy)acetohydrazide) (PubChem CID 19169516) has the molecular formula C26H38N4O10 and a molecular weight of 566.61 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;bis(2-(4-propylphenoxy)acetohydrazide).

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;bis(2-(4-propylphenoxy)acetohydrazide)
PubChem CID19169516
Molecular FormulaC26H38N4O10
Molecular Weight566.61 g/mol
Exact Mass566.26
IUPAC Name2,3-dihydroxybutanedioic acid;bis(2-(4-propylphenoxy)acetohydrazide)
SMILESCCCc1ccc(OCC(=O)NN)cc1.CCCc1ccc(OCC(=O)NN)cc1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/2C11H16N2O2.C4H6O6/c2*1-2-3-9-4-6-10(7-5-9)15-8-11(14)13-12;5-1(3(7)8)2(6)4(9)10/h2*4-7H,2-3,8,12H2,1H3,(H,13,14);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyQAGYYYQZSVAYPQ-UHFFFAOYSA-N
XLogP-0.11
TPSA243.76 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.61
LogP ≤ 5-0.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,3-dihydroxybutanedioic acid;bis(2-(4-propylphenoxy)acetohydrazide) 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

2,3-dihydroxybutanedioic acid;bis(2-(4-methylphenoxy)acetohydrazide)
CID 19169514
(2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid
CID 9157214
bis(2-(4-chloro-3-methylphenoxy)acetohydrazide);2,3-dihydroxybutanedioic acid
CID 19169518
methyl 2-(4-propylphenoxy)acetate
CID 19911850
2-(4-aminophenoxy)-N-(4-propylphenyl)acetamide
CID 61027141
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
2-(4-phenoxyphenoxy)acetohydrazide
CID 873173
1-(4-propylphenoxy)pentan-2-one
CID 62549961
2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide
CID 43279784
N-[(Z)-1-phenylethylideneamino]-2-(4-propylphenoxy)acetamide
CID 6008008
2-(4-methylsulfanylphenoxy)acetohydrazide
CID 16656066
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 24701129

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;bis(2-(4-propylphenoxy)acetohydrazide)?
The IUPAC name of 2,3-dihydroxybutanedioic acid;bis(2-(4-propylphenoxy)acetohydrazide) (CID 19169516) is 2,3-dihydroxybutanedioic acid;bis(2-(4-propylphenoxy)acetohydrazide).
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;bis(2-(4-propylphenoxy)acetohydrazide)?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;bis(2-(4-propylphenoxy)acetohydrazide) is CCCc1ccc(OCC(=O)NN)cc1.CCCc1ccc(OCC(=O)NN)cc1.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;bis(2-(4-propylphenoxy)acetohydrazide)?
The InChIKey is QAGYYYQZSVAYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H16N2O2.C4H6O6/c2*1-2-3-9-4-6-10(7-5-9)15-8-11(14)13-12;5-1(3(7)8)2(6)4(9)10/h2*4-7H,2-3,8,12H2,1H3,(H,13,14);1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydroxybutanedioic acid;bis(2-(4-propylphenoxy)acetohydrazide)?
2,3-dihydroxybutanedioic acid;bis(2-(4-propylphenoxy)acetohydrazide) has a molecular weight of 566.61 g/mol, XLogP of -0.11, 13 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;bis(2-(4-propylphenoxy)acetohydrazide) is sourced from PubChem (CID 19169516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).