ethyl 3-amino-3-ethyliminopropanoate

C7H14N2O2 — CID 14050989

IUPACethyl 3-amino-3-ethyliminopropanoate
SMILESCC/N=C(\N)CC(=O)OCC
InChIInChI=1S/C7H14N2O2/c1-3-9-6(8)5-7(10)11-4-2/h3-5H2,1-2H3,(H2,8,9)
InChIKeyFIZOGACPEWGKOV-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.32
Rot. Bonds4

About ethyl 3-amino-3-ethyliminopropanoate

ethyl 3-amino-3-ethyliminopropanoate (PubChem CID 14050989) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl 3-amino-3-ethyliminopropanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-ethyliminopropanoate
PubChem CID14050989
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nameethyl 3-amino-3-ethyliminopropanoate
SMILESCC/N=C(\N)CC(=O)OCC
InChIInChI=1S/C7H14N2O2/c1-3-9-6(8)5-7(10)11-4-2/h3-5H2,1-2H3,(H2,8,9)
InChIKeyFIZOGACPEWGKOV-UHFFFAOYSA-N
XLogP0.32
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Carbamimidoyl-acetic acid ethyl ester
CID 4599837
Ethyl 3-(diaminomethylideneamino)propanoate;hydrochloride
CID 45263968
Ethyl 3-[[amino-(diaminomethylideneamino)methylidene]amino]propanoate
CID 10778684
Ethyl 3-(diaminomethylideneamino)propanoate
CID 10845533
Amidinoacetic acid n-propyl ester
CID 12391078
Ethyl (3Z)-3-amino-3-{[2-(dimethylamino)ethyl]imino}propanoate
CID 20477993
Ethyl 3-methylamino-3-iminopropionate Hydrochloride
CID 20567864
Ethyl 3-imino-3-(methylamino)propanoate
CID 20567865
Propyl 3-amino-3-cyclopropyliminopropanoate
CID 53684848
Butyl 3-amino-3-cyclopropyliminopropanoate
CID 53726710
Ethyl 3-amino-3-propan-2-yliminopropanoate
CID 53780830
Ethyl 3-amino-3-cyclobutyliminopropanoate
CID 53793987

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-ethyliminopropanoate?
The IUPAC name of ethyl 3-amino-3-ethyliminopropanoate (CID 14050989) is ethyl 3-amino-3-ethyliminopropanoate.
What is the SMILES notation for ethyl 3-amino-3-ethyliminopropanoate?
The canonical SMILES for ethyl 3-amino-3-ethyliminopropanoate is CC/N=C(\N)CC(=O)OCC.
What is the InChIKey of ethyl 3-amino-3-ethyliminopropanoate?
The InChIKey is FIZOGACPEWGKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-9-6(8)5-7(10)11-4-2/h3-5H2,1-2H3,(H2,8,9).
What are the key properties of ethyl 3-amino-3-ethyliminopropanoate?
ethyl 3-amino-3-ethyliminopropanoate has a molecular weight of 158.20 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-ethyliminopropanoate is sourced from PubChem (CID 14050989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).