(3Z)-2-benzyl-3-hydrazinyl-3-hydrazinylidene-2-methoxypropanoic acid;ethane

C13H22N4O3 — CID 153379167

IUPAC(3Z)-2-benzyl-3-hydrazinyl-3-hydrazinylidene-2-methoxypropanoic acid;ethane
SMILESCC.COC(Cc1ccccc1)(C(=O)O)/C(=N/N)NN
InChIInChI=1S/C11H16N4O3.C2H6/c1-18-11(10(16)17,9(14-12)15-13)7-8-5-3-2-4-6-8;1-2/h2-6H,7,12-13H2,1H3,(H,14,15)(H,16,17);1-2H3
InChIKeyQILNLBDGCUUWSD-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.46
Rot. Bonds5

About (3Z)-2-benzyl-3-hydrazinyl-3-hydrazinylidene-2-methoxypropanoic acid;ethane

(3Z)-2-benzyl-3-hydrazinyl-3-hydrazinylidene-2-methoxypropanoic acid;ethane (PubChem CID 153379167) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3Z)-2-benzyl-3-hydrazinyl-3-hydrazinylidene-2-methoxypropanoic acid;ethane.

Molecular Properties

Compound Name(3Z)-2-benzyl-3-hydrazinyl-3-hydrazinylidene-2-methoxypropanoic acid;ethane
PubChem CID153379167
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name(3Z)-2-benzyl-3-hydrazinyl-3-hydrazinylidene-2-methoxypropanoic acid;ethane
SMILESCC.COC(Cc1ccccc1)(C(=O)O)/C(=N/N)NN
InChIInChI=1S/C11H16N4O3.C2H6/c1-18-11(10(16)17,9(14-12)15-13)7-8-5-3-2-4-6-8;1-2/h2-6H,7,12-13H2,1H3,(H,14,15)(H,16,17);1-2H3
InChIKeyQILNLBDGCUUWSD-UHFFFAOYSA-N
XLogP0.46
TPSA122.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

Analyze (3Z)-2-benzyl-3-hydrazinyl-3-hydrazinylidene-2-methoxypropanoic acid;ethane with MolForge

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Related Compounds

dimethyl 2-amino-2-benzylpropanedioate
CID 134836854
2-methoxy-2-[(3-methoxyphenyl)methyl]propanedioic acid
CID 146282656
methyl 2-amino-2-benzyl-3-phenylpropanoate
CID 10825855
methyl (2S)-2,3-diamino-2-benzyl-3-oxopropanoate
CID 134588871
methyl 2-benzyl-3-bromo-2-hydroxypropanoate
CID 77389738
3-benzyl-3-methoxy-4-phenylbutan-2-one
CID 150312877
2-methoxy-2-[(4-pyridin-2-ylphenyl)methyl]propanedioic acid
CID 135182415
methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate
CID 57421207
2-benzyl-2-methoxy-3-oxobutanoic acid;deuterium monohydride;methane;3-methoxy-4-phenylbutan-2-one
CID 162233546
2-benzyl-2-(3-hydroxy-2-methoxypropoxy)propanedioic acid
CID 146282837
benzoic acid;1,1-dimethoxy-2-phenylethanamine
CID 70260475
(2S)-2-benzyl-2-methoxycarbonylbutanoic acid
CID 45141431

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-benzyl-3-hydrazinyl-3-hydrazinylidene-2-methoxypropanoic acid;ethane?
The IUPAC name of (3Z)-2-benzyl-3-hydrazinyl-3-hydrazinylidene-2-methoxypropanoic acid;ethane (CID 153379167) is (3Z)-2-benzyl-3-hydrazinyl-3-hydrazinylidene-2-methoxypropanoic acid;ethane.
What is the SMILES notation for (3Z)-2-benzyl-3-hydrazinyl-3-hydrazinylidene-2-methoxypropanoic acid;ethane?
The canonical SMILES for (3Z)-2-benzyl-3-hydrazinyl-3-hydrazinylidene-2-methoxypropanoic acid;ethane is CC.COC(Cc1ccccc1)(C(=O)O)/C(=N/N)NN.
What is the InChIKey of (3Z)-2-benzyl-3-hydrazinyl-3-hydrazinylidene-2-methoxypropanoic acid;ethane?
The InChIKey is QILNLBDGCUUWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3.C2H6/c1-18-11(10(16)17,9(14-12)15-13)7-8-5-3-2-4-6-8;1-2/h2-6H,7,12-13H2,1H3,(H,14,15)(H,16,17);1-2H3.
What are the key properties of (3Z)-2-benzyl-3-hydrazinyl-3-hydrazinylidene-2-methoxypropanoic acid;ethane?
(3Z)-2-benzyl-3-hydrazinyl-3-hydrazinylidene-2-methoxypropanoic acid;ethane has a molecular weight of 282.34 g/mol, XLogP of 0.46, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-benzyl-3-hydrazinyl-3-hydrazinylidene-2-methoxypropanoic acid;ethane is sourced from PubChem (CID 153379167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).