ethyl (Z)-3-aminoprop-2-enoate

C5H9NO2 — CID 59298373

IUPACethyl (Z)-3-aminoprop-2-enoate
SMILESCCOC(=O)/C=C\N
InChIInChI=1S/C5H9NO2/c1-2-8-5(7)3-4-6/h3-4H,2,6H2,1H3/b4-3-
InChIKeyFABIVEGAPONRAI-ARJAWSKDSA-N
MW115.13 g/mol
LogP0.02
Rot. Bonds2

About ethyl (Z)-3-aminoprop-2-enoate

ethyl (Z)-3-aminoprop-2-enoate (PubChem CID 59298373) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is ethyl (Z)-3-aminoprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-aminoprop-2-enoate
PubChem CID59298373
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Nameethyl (Z)-3-aminoprop-2-enoate
SMILESCCOC(=O)/C=C\N
InChIInChI=1S/C5H9NO2/c1-2-8-5(7)3-4-6/h3-4H,2,6H2,1H3/b4-3-
InChIKeyFABIVEGAPONRAI-ARJAWSKDSA-N
XLogP0.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-aminoprop-2-enoate?
The IUPAC name of ethyl (Z)-3-aminoprop-2-enoate (CID 59298373) is ethyl (Z)-3-aminoprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-aminoprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-aminoprop-2-enoate is CCOC(=O)/C=C\N.
What is the InChIKey of ethyl (Z)-3-aminoprop-2-enoate?
The InChIKey is FABIVEGAPONRAI-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H9NO2/c1-2-8-5(7)3-4-6/h3-4H,2,6H2,1H3/b4-3-.
What are the key properties of ethyl (Z)-3-aminoprop-2-enoate?
ethyl (Z)-3-aminoprop-2-enoate has a molecular weight of 115.13 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-aminoprop-2-enoate is sourced from PubChem (CID 59298373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).