ethene;methyl 4-(ethylamino)-4-oxo-3-[[2-(pent-4-enoylamino)acetyl]amino]butanoate

C16H27N3O5 — CID 142844235

IUPACethene;methyl 4-(ethylamino)-4-oxo-3-[[2-(pent-4-enoylamino)acetyl]amino]butanoate
SMILESC=C.C=CCCC(=O)NCC(=O)NC(CC(=O)OC)C(=O)NCC
InChIInChI=1S/C14H23N3O5.C2H4/c1-4-6-7-11(18)16-9-12(19)17-10(8-13(20)22-3)14(21)15-5-2;1-2/h4,10H,1,5-9H2,2-3H3,(H,15,21)(H,16,18)(H,17,19);1-2H2
InChIKeyIXSCDDLWHMIKQP-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.05
Rot. Bonds10

About ethene;methyl 4-(ethylamino)-4-oxo-3-[[2-(pent-4-enoylamino)acetyl]amino]butanoate

ethene;methyl 4-(ethylamino)-4-oxo-3-[[2-(pent-4-enoylamino)acetyl]amino]butanoate (PubChem CID 142844235) has the molecular formula C16H27N3O5 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethene;methyl 4-(ethylamino)-4-oxo-3-[[2-(pent-4-enoylamino)acetyl]amino]butanoate.

Molecular Properties

Compound Nameethene;methyl 4-(ethylamino)-4-oxo-3-[[2-(pent-4-enoylamino)acetyl]amino]butanoate
PubChem CID142844235
Molecular FormulaC16H27N3O5
Molecular Weight341.41 g/mol
Exact Mass341.20
IUPAC Nameethene;methyl 4-(ethylamino)-4-oxo-3-[[2-(pent-4-enoylamino)acetyl]amino]butanoate
SMILESC=C.C=CCCC(=O)NCC(=O)NC(CC(=O)OC)C(=O)NCC
InChIInChI=1S/C14H23N3O5.C2H4/c1-4-6-7-11(18)16-9-12(19)17-10(8-13(20)22-3)14(21)15-5-2;1-2/h4,10H,1,5-9H2,2-3H3,(H,15,21)(H,16,18)(H,17,19);1-2H2
InChIKeyIXSCDDLWHMIKQP-UHFFFAOYSA-N
XLogP0.05
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethene;methyl 4-(ethylamino)-4-oxo-3-[[2-(pent-4-enoylamino)acetyl]amino]butanoate 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-((4-tert-butoxy-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)-4-pentenoate
CID 382221
(3S)-3-(2-acetamidopent-4-enoylamino)butanoic acid
CID 58637736
Dimethyl 2-[2-(propanoylamino)pent-4-enoylamino]butanedioate
CID 58637742
Dimethyl 2-(2-aminopent-4-enoylamino)butanedioate
CID 58637745
2-[2-(Propanoylamino)pent-4-enoylamino]butanedioic acid
CID 58637765
Methyl 4-(ethylamino)-4-oxo-3-(pent-4-enoylamino)butanoate
CID 58637786
2-[2-(Methylamino)pent-4-enoylamino]butanedioic acid
CID 58637800
Dimethyl 2-[2-(methylamino)pent-4-enoylamino]butanedioate
CID 58637808
Methyl 4-(methylamino)-4-oxo-3-[[2-(pent-4-enoylamino)acetyl]amino]butanoate
CID 58730119
Methyl 4-(methylamino)-4-oxo-3-(pent-4-enoylamino)butanoate
CID 58730120
Methyl 3-(2-aminopent-4-enoylamino)propanoate
CID 58747518
methyl (3S)-3-(methylamino)-4-oxo-4-[[(2S)-1-oxo-3-(prop-1-enylamino)-1-(tritioamino)propan-2-yl]amino]butanoate
CID 59170601

Frequently Asked Questions

What is the IUPAC name of ethene;methyl 4-(ethylamino)-4-oxo-3-[[2-(pent-4-enoylamino)acetyl]amino]butanoate?
The IUPAC name of ethene;methyl 4-(ethylamino)-4-oxo-3-[[2-(pent-4-enoylamino)acetyl]amino]butanoate (CID 142844235) is ethene;methyl 4-(ethylamino)-4-oxo-3-[[2-(pent-4-enoylamino)acetyl]amino]butanoate.
What is the SMILES notation for ethene;methyl 4-(ethylamino)-4-oxo-3-[[2-(pent-4-enoylamino)acetyl]amino]butanoate?
The canonical SMILES for ethene;methyl 4-(ethylamino)-4-oxo-3-[[2-(pent-4-enoylamino)acetyl]amino]butanoate is C=C.C=CCCC(=O)NCC(=O)NC(CC(=O)OC)C(=O)NCC.
What is the InChIKey of ethene;methyl 4-(ethylamino)-4-oxo-3-[[2-(pent-4-enoylamino)acetyl]amino]butanoate?
The InChIKey is IXSCDDLWHMIKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5.C2H4/c1-4-6-7-11(18)16-9-12(19)17-10(8-13(20)22-3)14(21)15-5-2;1-2/h4,10H,1,5-9H2,2-3H3,(H,15,21)(H,16,18)(H,17,19);1-2H2.
What are the key properties of ethene;methyl 4-(ethylamino)-4-oxo-3-[[2-(pent-4-enoylamino)acetyl]amino]butanoate?
ethene;methyl 4-(ethylamino)-4-oxo-3-[[2-(pent-4-enoylamino)acetyl]amino]butanoate has a molecular weight of 341.41 g/mol, XLogP of 0.05, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;methyl 4-(ethylamino)-4-oxo-3-[[2-(pent-4-enoylamino)acetyl]amino]butanoate is sourced from PubChem (CID 142844235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).