4-(ethylideneamino)butanoate

C6H10NO2- — CID 59730620

IUPAC4-(ethylideneamino)butanoate
SMILESC/C=N/CCCC(=O)[O-]
InChIInChI=1S/C6H11NO2/c1-2-7-5-3-4-6(8)9/h2H,3-5H2,1H3,(H,8,9)/p-1/b7-2+
InChIKeyWYBYWJLQRVZZNP-FARCUNLSSA-M
MW128.15 g/mol
LogP-0.39
Rot. Bonds4

About 4-(ethylideneamino)butanoate

4-(ethylideneamino)butanoate (PubChem CID 59730620) has the molecular formula C6H10NO2- and a molecular weight of 128.15 g/mol. Its IUPAC name is 4-(ethylideneamino)butanoate.

Molecular Properties

Compound Name4-(ethylideneamino)butanoate
PubChem CID59730620
Molecular FormulaC6H10NO2-
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name4-(ethylideneamino)butanoate
SMILESC/C=N/CCCC(=O)[O-]
InChIInChI=1S/C6H11NO2/c1-2-7-5-3-4-6(8)9/h2H,3-5H2,1H3,(H,8,9)/p-1/b7-2+
InChIKeyWYBYWJLQRVZZNP-FARCUNLSSA-M
XLogP-0.39
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(Ethylideneamino)butanoic acid
CID 21721020
4-Ethyliminobutanoate
CID 59730618
Methyl 4-(2-oxoethylideneamino)butanoate
CID 60031736
sodium N-(3-carboxypropyl)ethanimidate
CID 102176349
Methyl 4-[2-(4-methoxy-4-oxobutyl)iminoethylideneamino]butanoate
CID 101269246

Frequently Asked Questions

What is the IUPAC name of 4-(ethylideneamino)butanoate?
The IUPAC name of 4-(ethylideneamino)butanoate (CID 59730620) is 4-(ethylideneamino)butanoate.
What is the SMILES notation for 4-(ethylideneamino)butanoate?
The canonical SMILES for 4-(ethylideneamino)butanoate is C/C=N/CCCC(=O)[O-].
What is the InChIKey of 4-(ethylideneamino)butanoate?
The InChIKey is WYBYWJLQRVZZNP-FARCUNLSSA-M. The full InChI is InChI=1S/C6H11NO2/c1-2-7-5-3-4-6(8)9/h2H,3-5H2,1H3,(H,8,9)/p-1/b7-2+.
What are the key properties of 4-(ethylideneamino)butanoate?
4-(ethylideneamino)butanoate has a molecular weight of 128.15 g/mol, XLogP of -0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylideneamino)butanoate is sourced from PubChem (CID 59730620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).