3-[3-(hydrazinylmethylideneamino)phenyl]-2-methoxy-2,3-diphenylpropanoic acid

C23H23N3O3 — CID 67616103

IUPAC3-[3-(hydrazinylmethylideneamino)phenyl]-2-methoxy-2,3-diphenylpropanoic acid
SMILESCOC(C(=O)O)(c1ccccc1)C(c1ccccc1)c1cccc(/N=C/NN)c1
InChIInChI=1S/C23H23N3O3/c1-29-23(22(27)28,19-12-6-3-7-13-19)21(17-9-4-2-5-10-17)18-11-8-14-20(15-18)25-16-26-24/h2-16,21H,24H2,1H3,(H,25,26)(H,27,28)
InChIKeyTYNLQFOPIUMANM-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.57
Rot. Bonds8

About 3-[3-(hydrazinylmethylideneamino)phenyl]-2-methoxy-2,3-diphenylpropanoic acid

3-[3-(hydrazinylmethylideneamino)phenyl]-2-methoxy-2,3-diphenylpropanoic acid (PubChem CID 67616103) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-[3-(hydrazinylmethylideneamino)phenyl]-2-methoxy-2,3-diphenylpropanoic acid.

Molecular Properties

Compound Name3-[3-(hydrazinylmethylideneamino)phenyl]-2-methoxy-2,3-diphenylpropanoic acid
PubChem CID67616103
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name3-[3-(hydrazinylmethylideneamino)phenyl]-2-methoxy-2,3-diphenylpropanoic acid
SMILESCOC(C(=O)O)(c1ccccc1)C(c1ccccc1)c1cccc(/N=C/NN)c1
InChIInChI=1S/C23H23N3O3/c1-29-23(22(27)28,19-12-6-3-7-13-19)21(17-9-4-2-5-10-17)18-11-8-14-20(15-18)25-16-26-24/h2-16,21H,24H2,1H3,(H,25,26)(H,27,28)
InChIKeyTYNLQFOPIUMANM-UHFFFAOYSA-N
XLogP3.57
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-(hydrazinylmethylideneamino)phenyl]-2-methyl-3-phenyl-2-phenylsulfanylpropanoic acid
CID 67617002
ethyl 3-[[2-[[3-(hydrazinylmethylideneamino)benzoyl]amino]acetyl]amino]-3-phenylpropanoate
CID 131721660
3,3-difluoro-2-methoxy-2-phenylpropanoyl fluoride
CID 142787315
methyl 2-hydrazinyl-2-phenylpropanoate
CID 146190262
(4-acetamidophenyl)-hydroperoxyarsinic acid;3-(hydrazinylmethylideneamino)benzoic acid
CID 174647991
2-acetamido-3-[4-[[3-(hydrazinylmethylideneamino)phenyl]carbamoylamino]phenyl]propanoic acid
CID 21191442
dimethyl 3-methoxy-2,5-dioxo-3,4-diphenylhexanedioate
CID 14069669
3-amino-2-(3,5-dimethylphenyl)-4-[3-(hydrazinylmethylideneamino)phenyl]-4-oxobut-2-enoic acid
CID 173309447
methyl 3,3,3-triphenyl-2-sulfanylpropanoate
CID 54400813
methyl 2-[3-(2-methoxy-1-nitroso-2-oxoethyl)phenyl]-2-nitrosoacetate
CID 91900402
2-methoxy-2-phenylpropanehydrazide
CID 138489021
methyl 3-amino-2-hydroxy-3-phenylbutanoate
CID 74334118

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydrazinylmethylideneamino)phenyl]-2-methoxy-2,3-diphenylpropanoic acid?
The IUPAC name of 3-[3-(hydrazinylmethylideneamino)phenyl]-2-methoxy-2,3-diphenylpropanoic acid (CID 67616103) is 3-[3-(hydrazinylmethylideneamino)phenyl]-2-methoxy-2,3-diphenylpropanoic acid.
What is the SMILES notation for 3-[3-(hydrazinylmethylideneamino)phenyl]-2-methoxy-2,3-diphenylpropanoic acid?
The canonical SMILES for 3-[3-(hydrazinylmethylideneamino)phenyl]-2-methoxy-2,3-diphenylpropanoic acid is COC(C(=O)O)(c1ccccc1)C(c1ccccc1)c1cccc(/N=C/NN)c1.
What is the InChIKey of 3-[3-(hydrazinylmethylideneamino)phenyl]-2-methoxy-2,3-diphenylpropanoic acid?
The InChIKey is TYNLQFOPIUMANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-29-23(22(27)28,19-12-6-3-7-13-19)21(17-9-4-2-5-10-17)18-11-8-14-20(15-18)25-16-26-24/h2-16,21H,24H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 3-[3-(hydrazinylmethylideneamino)phenyl]-2-methoxy-2,3-diphenylpropanoic acid?
3-[3-(hydrazinylmethylideneamino)phenyl]-2-methoxy-2,3-diphenylpropanoic acid has a molecular weight of 389.46 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydrazinylmethylideneamino)phenyl]-2-methoxy-2,3-diphenylpropanoic acid is sourced from PubChem (CID 67616103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).