ethyl 4-hydrazinylbutanoate;hydrochloride

C6H15ClN2O2 — CID 88780501

IUPACethyl 4-hydrazinylbutanoate;hydrochloride
SMILESCCOC(=O)CCCNN.Cl
InChIInChI=1S/C6H14N2O2.ClH/c1-2-10-6(9)4-3-5-8-7;/h8H,2-5,7H2,1H3;1H
InChIKeyWIPYUSMEXAZGJE-UHFFFAOYSA-N
MW182.65 g/mol
LogP0.21
Rot. Bonds5

About ethyl 4-hydrazinylbutanoate;hydrochloride

ethyl 4-hydrazinylbutanoate;hydrochloride (PubChem CID 88780501) has the molecular formula C6H15ClN2O2 and a molecular weight of 182.65 g/mol. Its IUPAC name is ethyl 4-hydrazinylbutanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-hydrazinylbutanoate;hydrochloride
PubChem CID88780501
Molecular FormulaC6H15ClN2O2
Molecular Weight182.65 g/mol
Exact Mass182.08
IUPAC Nameethyl 4-hydrazinylbutanoate;hydrochloride
SMILESCCOC(=O)CCCNN.Cl
InChIInChI=1S/C6H14N2O2.ClH/c1-2-10-6(9)4-3-5-8-7;/h8H,2-5,7H2,1H3;1H
InChIKeyWIPYUSMEXAZGJE-UHFFFAOYSA-N
XLogP0.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(propylamino)butanoate;hydrochloride
CID 88662585
diethyl hexanedioate
CID 160747628
ethyl 4-(ethoxycarbonylamino)butanoate
CID 14140662
diethyl icosanedioate
CID 5058538
ethyl 6-(methylamino)hexanoate;hydrochloride
CID 87871170
ethyl 4-(diaminophosphorylamino)butanoate
CID 88722731
ethyl 4-aminobutanoate;hydrochloride
CID 12649661
ethyl 6-[(4-ethoxy-4-oxobutyl)carbamoylamino]hexanoate
CID 3344425
3-[(4-ethoxy-4-oxobutyl)amino]propanoic acid
CID 64579324
ethyl 4-(butylcarbamoylamino)butanoate
CID 60677353
ethyl 4-(4-hydroxybutylamino)butanoate
CID 64580289
ethyl 4-[4-(methylamino)butanoylamino]butanoate;hydrochloride
CID 119726258

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydrazinylbutanoate;hydrochloride?
The IUPAC name of ethyl 4-hydrazinylbutanoate;hydrochloride (CID 88780501) is ethyl 4-hydrazinylbutanoate;hydrochloride.
What is the SMILES notation for ethyl 4-hydrazinylbutanoate;hydrochloride?
The canonical SMILES for ethyl 4-hydrazinylbutanoate;hydrochloride is CCOC(=O)CCCNN.Cl.
What is the InChIKey of ethyl 4-hydrazinylbutanoate;hydrochloride?
The InChIKey is WIPYUSMEXAZGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.ClH/c1-2-10-6(9)4-3-5-8-7;/h8H,2-5,7H2,1H3;1H.
What are the key properties of ethyl 4-hydrazinylbutanoate;hydrochloride?
ethyl 4-hydrazinylbutanoate;hydrochloride has a molecular weight of 182.65 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydrazinylbutanoate;hydrochloride is sourced from PubChem (CID 88780501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).