methyl (E)-3-(ethoxyamino)prop-2-enoate

C6H11NO3 — CID 103254517

IUPACmethyl (E)-3-(ethoxyamino)prop-2-enoate
SMILESCCON/C=C/C(=O)OC
InChIInChI=1S/C6H11NO3/c1-3-10-7-5-4-6(8)9-2/h4-5,7H,3H2,1-2H3/b5-4+
InChIKeyZEFWAKMQEXHGBB-SNAWJCMRSA-N
MW145.16 g/mol
LogP0.21
Rot. Bonds4

About methyl (E)-3-(ethoxyamino)prop-2-enoate

methyl (E)-3-(ethoxyamino)prop-2-enoate (PubChem CID 103254517) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl (E)-3-(ethoxyamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(ethoxyamino)prop-2-enoate
PubChem CID103254517
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl (E)-3-(ethoxyamino)prop-2-enoate
SMILESCCON/C=C/C(=O)OC
InChIInChI=1S/C6H11NO3/c1-3-10-7-5-4-6(8)9-2/h4-5,7H,3H2,1-2H3/b5-4+
InChIKeyZEFWAKMQEXHGBB-SNAWJCMRSA-N
XLogP0.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(ethoxyamino)prop-2-enoate?
The IUPAC name of methyl (E)-3-(ethoxyamino)prop-2-enoate (CID 103254517) is methyl (E)-3-(ethoxyamino)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(ethoxyamino)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(ethoxyamino)prop-2-enoate is CCON/C=C/C(=O)OC.
What is the InChIKey of methyl (E)-3-(ethoxyamino)prop-2-enoate?
The InChIKey is ZEFWAKMQEXHGBB-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-10-7-5-4-6(8)9-2/h4-5,7H,3H2,1-2H3/b5-4+.
What are the key properties of methyl (E)-3-(ethoxyamino)prop-2-enoate?
methyl (E)-3-(ethoxyamino)prop-2-enoate has a molecular weight of 145.16 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(ethoxyamino)prop-2-enoate is sourced from PubChem (CID 103254517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).