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

C22H30N4O10 — CID 19169514

IUPAC2,3-dihydroxybutanedioic acid;bis(2-(4-methylphenoxy)acetohydrazide)
SMILESCc1ccc(OCC(=O)NN)cc1.Cc1ccc(OCC(=O)NN)cc1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/2C9H12N2O2.C4H6O6/c2*1-7-2-4-8(5-3-7)13-6-9(12)11-10;5-1(3(7)8)2(6)4(9)10/h2*2-5H,6,10H2,1H3,(H,11,12);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyVNOBMXGUTMPTFD-UHFFFAOYSA-N
MW510.50 g/mol
LogP-1.40
Rot. Bonds9

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

2,3-dihydroxybutanedioic acid;bis(2-(4-methylphenoxy)acetohydrazide) (PubChem CID 19169514) has the molecular formula C22H30N4O10 and a molecular weight of 510.50 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;bis(2-(4-methylphenoxy)acetohydrazide).

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;bis(2-(4-methylphenoxy)acetohydrazide)
PubChem CID19169514
Molecular FormulaC22H30N4O10
Molecular Weight510.50 g/mol
Exact Mass510.20
IUPAC Name2,3-dihydroxybutanedioic acid;bis(2-(4-methylphenoxy)acetohydrazide)
SMILESCc1ccc(OCC(=O)NN)cc1.Cc1ccc(OCC(=O)NN)cc1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/2C9H12N2O2.C4H6O6/c2*1-7-2-4-8(5-3-7)13-6-9(12)11-10;5-1(3(7)8)2(6)4(9)10/h2*2-5H,6,10H2,1H3,(H,11,12);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyVNOBMXGUTMPTFD-UHFFFAOYSA-N
XLogP-1.40
TPSA243.76 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.50
LogP ≤ 5-1.40
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'}

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Related Compounds

2,3-dihydroxybutanedioic acid;bis(2-(4-propylphenoxy)acetohydrazide)
CID 19169516
bis(2-(4-chloro-3-methylphenoxy)acetohydrazide);2,3-dihydroxybutanedioic acid
CID 19169518
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide
CID 65312489
2-(4-phenoxyphenoxy)acetohydrazide
CID 873173
2-(4-methylsulfanylphenoxy)acetohydrazide
CID 16656066
(2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid
CID 9157303
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
[[2-(4-methylphenoxy)acetyl]amino]thiourea
CID 11020991
3-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568541
6-amino-2-[[2-(4-methylphenoxy)acetyl]amino]hexanoic acid
CID 171619167

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;bis(2-(4-methylphenoxy)acetohydrazide)?
The IUPAC name of 2,3-dihydroxybutanedioic acid;bis(2-(4-methylphenoxy)acetohydrazide) (CID 19169514) is 2,3-dihydroxybutanedioic acid;bis(2-(4-methylphenoxy)acetohydrazide).
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;bis(2-(4-methylphenoxy)acetohydrazide)?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;bis(2-(4-methylphenoxy)acetohydrazide) is Cc1ccc(OCC(=O)NN)cc1.Cc1ccc(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-methylphenoxy)acetohydrazide)?
The InChIKey is VNOBMXGUTMPTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12N2O2.C4H6O6/c2*1-7-2-4-8(5-3-7)13-6-9(12)11-10;5-1(3(7)8)2(6)4(9)10/h2*2-5H,6,10H2,1H3,(H,11,12);1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydroxybutanedioic acid;bis(2-(4-methylphenoxy)acetohydrazide)?
2,3-dihydroxybutanedioic acid;bis(2-(4-methylphenoxy)acetohydrazide) has a molecular weight of 510.50 g/mol, XLogP of -1.40, 9 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-methylphenoxy)acetohydrazide) is sourced from PubChem (CID 19169514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).