ethyl (3Z)-3-amino-3-(2-methylpropanoylhydrazinylidene)propanoate

C9H17N3O3 — CID 14871010

IUPACethyl (3Z)-3-amino-3-(2-methylpropanoylhydrazinylidene)propanoate
SMILESCCOC(=O)C/C(N)=N/NC(=O)C(C)C
InChIInChI=1S/C9H17N3O3/c1-4-15-8(13)5-7(10)11-12-9(14)6(2)3/h6H,4-5H2,1-3H3,(H2,10,11)(H,12,14)
InChIKeyBUNHMEOMDQFCNG-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.02
Rot. Bonds5

About ethyl (3Z)-3-amino-3-(2-methylpropanoylhydrazinylidene)propanoate

ethyl (3Z)-3-amino-3-(2-methylpropanoylhydrazinylidene)propanoate (PubChem CID 14871010) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl (3Z)-3-amino-3-(2-methylpropanoylhydrazinylidene)propanoate.

Molecular Properties

Compound Nameethyl (3Z)-3-amino-3-(2-methylpropanoylhydrazinylidene)propanoate
PubChem CID14871010
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Nameethyl (3Z)-3-amino-3-(2-methylpropanoylhydrazinylidene)propanoate
SMILESCCOC(=O)C/C(N)=N/NC(=O)C(C)C
InChIInChI=1S/C9H17N3O3/c1-4-15-8(13)5-7(10)11-12-9(14)6(2)3/h6H,4-5H2,1-3H3,(H2,10,11)(H,12,14)
InChIKeyBUNHMEOMDQFCNG-UHFFFAOYSA-N
XLogP-0.02
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

ethyl 3-(acetylhydrazinylidene)-3-aminopropanoate
CID 73177102
ethyl (3Z)-3-amino-3-[(2-methylsulfonylacetyl)hydrazinylidene]propanoate
CID 153325725
ethyl 6-methyl-3,5-dioxoheptanoate
CID 162481991
N-ethoxy-2-methylpropanamide
CID 60717901
ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate
CID 5385390
ethyl 3-amino-3-propyliminopropanoate;hydrochloride
CID 88616125
diethyl 2-(carbamoylhydrazinylidene)butanedioate
CID 131879435
diethyl propanedioate;ethane
CID 123991095
diethyl propanedioate;titanium
CID 174779178
diethyl propanedioate;3-methylpentane
CID 174912983
diethyl (2S)-2-(2-methylpropanoylamino)butanedioate
CID 59038083
ethyl 3-oxobutanoate;propan-2-ol
CID 22062382

Frequently Asked Questions

What is the IUPAC name of ethyl (3Z)-3-amino-3-(2-methylpropanoylhydrazinylidene)propanoate?
The IUPAC name of ethyl (3Z)-3-amino-3-(2-methylpropanoylhydrazinylidene)propanoate (CID 14871010) is ethyl (3Z)-3-amino-3-(2-methylpropanoylhydrazinylidene)propanoate.
What is the SMILES notation for ethyl (3Z)-3-amino-3-(2-methylpropanoylhydrazinylidene)propanoate?
The canonical SMILES for ethyl (3Z)-3-amino-3-(2-methylpropanoylhydrazinylidene)propanoate is CCOC(=O)C/C(N)=N/NC(=O)C(C)C.
What is the InChIKey of ethyl (3Z)-3-amino-3-(2-methylpropanoylhydrazinylidene)propanoate?
The InChIKey is BUNHMEOMDQFCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-4-15-8(13)5-7(10)11-12-9(14)6(2)3/h6H,4-5H2,1-3H3,(H2,10,11)(H,12,14).
What are the key properties of ethyl (3Z)-3-amino-3-(2-methylpropanoylhydrazinylidene)propanoate?
ethyl (3Z)-3-amino-3-(2-methylpropanoylhydrazinylidene)propanoate has a molecular weight of 215.25 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3Z)-3-amino-3-(2-methylpropanoylhydrazinylidene)propanoate is sourced from PubChem (CID 14871010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).