ethyl 2-(pent-4-enoylamino)acetate

C9H15NO3 — CID 62679108

IUPACethyl 2-(pent-4-enoylamino)acetate
SMILESC=CCCC(=O)NCC(=O)OCC
InChIInChI=1S/C9H15NO3/c1-3-5-6-8(11)10-7-9(12)13-4-2/h3H,1,4-7H2,2H3,(H,10,11)
InChIKeyRZDLSRAYWGCTTE-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.63
Rot. Bonds6

About ethyl 2-(pent-4-enoylamino)acetate

ethyl 2-(pent-4-enoylamino)acetate (PubChem CID 62679108) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl 2-(pent-4-enoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(pent-4-enoylamino)acetate
PubChem CID62679108
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl 2-(pent-4-enoylamino)acetate
SMILESC=CCCC(=O)NCC(=O)OCC
InChIInChI=1S/C9H15NO3/c1-3-5-6-8(11)10-7-9(12)13-4-2/h3H,1,4-7H2,2H3,(H,10,11)
InChIKeyRZDLSRAYWGCTTE-UHFFFAOYSA-N
XLogP0.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-(pent-4-enoylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-((4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenamido)acetate
CID 86696158
(E)-N-[(3S)-2-oxooxolan-3-yl]hex-4-enamide
CID 171343861
Methyl 2-acetamidohex-5-enoate
CID 15391267
ethyl (E)-2-acetamido-5-iodopent-4-enoate
CID 10870635
ethyl (E)-2-acetamido-5-tributylstannylpent-4-enoate
CID 11038074
Ethyl 2-acetamido-4-iodopent-4-enoate
CID 15182780
methyl (E,2S)-2-acetamidohex-4-enoate
CID 11286876
Glycine, N-(1-oxo-4-pentenyl)-
CID 45082235
Ethyl (2-Bromoallyl)acetamidoacetate
CID 53789174
Methyl 2-acetamidohex-4-enoate
CID 72784776
Vinylacetylglycine, methyl ester
CID 6429417
l-Allylglycine, N-trifluoroacetyl-, ethyl ester
CID 13448017

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pent-4-enoylamino)acetate?
The IUPAC name of ethyl 2-(pent-4-enoylamino)acetate (CID 62679108) is ethyl 2-(pent-4-enoylamino)acetate.
What is the SMILES notation for ethyl 2-(pent-4-enoylamino)acetate?
The canonical SMILES for ethyl 2-(pent-4-enoylamino)acetate is C=CCCC(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-(pent-4-enoylamino)acetate?
The InChIKey is RZDLSRAYWGCTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-5-6-8(11)10-7-9(12)13-4-2/h3H,1,4-7H2,2H3,(H,10,11).
What are the key properties of ethyl 2-(pent-4-enoylamino)acetate?
ethyl 2-(pent-4-enoylamino)acetate has a molecular weight of 185.22 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pent-4-enoylamino)acetate is sourced from PubChem (CID 62679108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).