ethyl 4-hydrazinyl-3-methylbutanoate

C7H16N2O2 — CID 24836086

IUPACethyl 4-hydrazinyl-3-methylbutanoate
SMILESCCOC(=O)CC(C)CNN
InChIInChI=1S/C7H16N2O2/c1-3-11-7(10)4-6(2)5-9-8/h6,9H,3-5,8H2,1-2H3
InChIKeyZAEIAEXXBXHDGL-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.04
Rot. Bonds5

About ethyl 4-hydrazinyl-3-methylbutanoate

ethyl 4-hydrazinyl-3-methylbutanoate (PubChem CID 24836086) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is ethyl 4-hydrazinyl-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 4-hydrazinyl-3-methylbutanoate
PubChem CID24836086
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Nameethyl 4-hydrazinyl-3-methylbutanoate
SMILESCCOC(=O)CC(C)CNN
InChIInChI=1S/C7H16N2O2/c1-3-11-7(10)4-6(2)5-9-8/h6,9H,3-5,8H2,1-2H3
InChIKeyZAEIAEXXBXHDGL-UHFFFAOYSA-N
XLogP0.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3R)-3-methylpentanoate
CID 7567160
ethyl (3S)-3,5-dimethylhexanoate
CID 12830074
diethyl 3-methylheptanedioate
CID 121008602
diethyl propanedioate;3-methylpentane
CID 174912983
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
ethyl 4-(benzylamino)-3-methylbutanoate
CID 174566345
ethyl 5-acetamido-3-methylpentanoate
CID 91245879
ethyl (5R)-3-hydroxy-5-methylheptanoate
CID 11679950
4-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methylbutanoic acid
CID 81065562
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
ethyl 7-hydroxy-3-methylheptanoate
CID 15832984
ethyl 3-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]butanoate
CID 541663

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydrazinyl-3-methylbutanoate?
The IUPAC name of ethyl 4-hydrazinyl-3-methylbutanoate (CID 24836086) is ethyl 4-hydrazinyl-3-methylbutanoate.
What is the SMILES notation for ethyl 4-hydrazinyl-3-methylbutanoate?
The canonical SMILES for ethyl 4-hydrazinyl-3-methylbutanoate is CCOC(=O)CC(C)CNN.
What is the InChIKey of ethyl 4-hydrazinyl-3-methylbutanoate?
The InChIKey is ZAEIAEXXBXHDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-3-11-7(10)4-6(2)5-9-8/h6,9H,3-5,8H2,1-2H3.
What are the key properties of ethyl 4-hydrazinyl-3-methylbutanoate?
ethyl 4-hydrazinyl-3-methylbutanoate has a molecular weight of 160.22 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydrazinyl-3-methylbutanoate is sourced from PubChem (CID 24836086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).