hydrazine;methyl 4-(2-aminophenyl)-2-[[[4-(2-aminophenyl)-2-methoxycarbonyl-4-oxobutyl]disulfanyl]methyl]-4-oxobutanoate

C24H32N4O6S2 — CID 160688138

IUPAChydrazine;methyl 4-(2-aminophenyl)-2-[[[4-(2-aminophenyl)-2-methoxycarbonyl-4-oxobutyl]disulfanyl]methyl]-4-oxobutanoate
SMILESCOC(=O)C(CSSCC(CC(=O)c1ccccc1N)C(=O)OC)CC(=O)c1ccccc1N.NN
InChIInChI=1S/C24H28N2O6S2.H4N2/c1-31-23(29)15(11-21(27)17-7-3-5-9-19(17)25)13-33-34-14-16(24(30)32-2)12-22(28)18-8-4-6-10-20(18)26;1-2/h3-10,15-16H,11-14,25-26H2,1-2H3;1-2H2
InChIKeyRPATXKHMLQMIRB-UHFFFAOYSA-N
MW536.68 g/mol
LogP2.48
Rot. Bonds13

About hydrazine;methyl 4-(2-aminophenyl)-2-[[[4-(2-aminophenyl)-2-methoxycarbonyl-4-oxobutyl]disulfanyl]methyl]-4-oxobutanoate

hydrazine;methyl 4-(2-aminophenyl)-2-[[[4-(2-aminophenyl)-2-methoxycarbonyl-4-oxobutyl]disulfanyl]methyl]-4-oxobutanoate (PubChem CID 160688138) has the molecular formula C24H32N4O6S2 and a molecular weight of 536.68 g/mol. Its IUPAC name is hydrazine;methyl 4-(2-aminophenyl)-2-[[[4-(2-aminophenyl)-2-methoxycarbonyl-4-oxobutyl]disulfanyl]methyl]-4-oxobutanoate.

Molecular Properties

Compound Namehydrazine;methyl 4-(2-aminophenyl)-2-[[[4-(2-aminophenyl)-2-methoxycarbonyl-4-oxobutyl]disulfanyl]methyl]-4-oxobutanoate
PubChem CID160688138
Molecular FormulaC24H32N4O6S2
Molecular Weight536.68 g/mol
Exact Mass536.18
IUPAC Namehydrazine;methyl 4-(2-aminophenyl)-2-[[[4-(2-aminophenyl)-2-methoxycarbonyl-4-oxobutyl]disulfanyl]methyl]-4-oxobutanoate
SMILESCOC(=O)C(CSSCC(CC(=O)c1ccccc1N)C(=O)OC)CC(=O)c1ccccc1N.NN
InChIInChI=1S/C24H28N2O6S2.H4N2/c1-31-23(29)15(11-21(27)17-7-3-5-9-19(17)25)13-33-34-14-16(24(30)32-2)12-22(28)18-8-4-6-10-20(18)26;1-2/h3-10,15-16H,11-14,25-26H2,1-2H3;1-2H2
InChIKeyRPATXKHMLQMIRB-UHFFFAOYSA-N
XLogP2.48
TPSA190.82 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'disulphide', '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-aminobenzoic acid;methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate
CID 157317285
methyl 4-(2-aminophenyl)-4-oxo-2-(propanoylamino)butanoate
CID 171088537
4-(2-aminophenyl)-2-(methylamino)-4-oxobutanoic acid
CID 130357697
methyl 5-(2-aminophenyl)-5-oxopentanoate
CID 14382097
(2S)-4-(2-aminophenyl)-2-(bromoamino)-4-oxobutanoic acid
CID 91602941
methyl 2-[2-(2-chlorophenyl)-2-oxoethyl]-4-(4-methylphenyl)-4-oxobutanoate
CID 175442891
(2R)-4-(2-aminophenyl)-2-azaniumyl-4-oxobutanoate
CID 6971244
4-(2-aminophenyl)-4-oxo-2-(prop-2-enoxycarbonylamino)butanoic acid;propane
CID 142212831
4-(2-aminophenyl)-4-oxo-2-(prop-2-enoxycarbonylamino)butanoic acid
CID 59065081
methyl 3-phenylsulfanyl-2-(phenylsulfanylmethyl)propanoate
CID 13347330
(2S)-4-(2-aminophenyl)-2-(oxaloamino)-4-oxobutanoic acid
CID 54352244
(3R)-1-(2-aminophenyl)-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-one
CID 141145619

Frequently Asked Questions

What is the IUPAC name of hydrazine;methyl 4-(2-aminophenyl)-2-[[[4-(2-aminophenyl)-2-methoxycarbonyl-4-oxobutyl]disulfanyl]methyl]-4-oxobutanoate?
The IUPAC name of hydrazine;methyl 4-(2-aminophenyl)-2-[[[4-(2-aminophenyl)-2-methoxycarbonyl-4-oxobutyl]disulfanyl]methyl]-4-oxobutanoate (CID 160688138) is hydrazine;methyl 4-(2-aminophenyl)-2-[[[4-(2-aminophenyl)-2-methoxycarbonyl-4-oxobutyl]disulfanyl]methyl]-4-oxobutanoate.
What is the SMILES notation for hydrazine;methyl 4-(2-aminophenyl)-2-[[[4-(2-aminophenyl)-2-methoxycarbonyl-4-oxobutyl]disulfanyl]methyl]-4-oxobutanoate?
The canonical SMILES for hydrazine;methyl 4-(2-aminophenyl)-2-[[[4-(2-aminophenyl)-2-methoxycarbonyl-4-oxobutyl]disulfanyl]methyl]-4-oxobutanoate is COC(=O)C(CSSCC(CC(=O)c1ccccc1N)C(=O)OC)CC(=O)c1ccccc1N.NN.
What is the InChIKey of hydrazine;methyl 4-(2-aminophenyl)-2-[[[4-(2-aminophenyl)-2-methoxycarbonyl-4-oxobutyl]disulfanyl]methyl]-4-oxobutanoate?
The InChIKey is RPATXKHMLQMIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6S2.H4N2/c1-31-23(29)15(11-21(27)17-7-3-5-9-19(17)25)13-33-34-14-16(24(30)32-2)12-22(28)18-8-4-6-10-20(18)26;1-2/h3-10,15-16H,11-14,25-26H2,1-2H3;1-2H2.
What are the key properties of hydrazine;methyl 4-(2-aminophenyl)-2-[[[4-(2-aminophenyl)-2-methoxycarbonyl-4-oxobutyl]disulfanyl]methyl]-4-oxobutanoate?
hydrazine;methyl 4-(2-aminophenyl)-2-[[[4-(2-aminophenyl)-2-methoxycarbonyl-4-oxobutyl]disulfanyl]methyl]-4-oxobutanoate has a molecular weight of 536.68 g/mol, XLogP of 2.48, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;methyl 4-(2-aminophenyl)-2-[[[4-(2-aminophenyl)-2-methoxycarbonyl-4-oxobutyl]disulfanyl]methyl]-4-oxobutanoate is sourced from PubChem (CID 160688138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).