methyl (E)-4-amino-3-benzamido-2-ethyliminopent-3-enoate

C15H19N3O3 — CID 170590328

IUPACmethyl (E)-4-amino-3-benzamido-2-ethyliminopent-3-enoate
SMILESCC/N=C(C(=O)OC)/C(NC(=O)c1ccccc1)=C(/C)N
InChIInChI=1S/C15H19N3O3/c1-4-17-13(15(20)21-3)12(10(2)16)18-14(19)11-8-6-5-7-9-11/h5-9H,4,16H2,1-3H3,(H,18,19)/b12-10+,17-13-
InChIKeyFBCLTPGUNPSPEW-OUXZTOHCSA-N
MW289.34 g/mol
LogP1.24
Rot. Bonds5

About methyl (E)-4-amino-3-benzamido-2-ethyliminopent-3-enoate

methyl (E)-4-amino-3-benzamido-2-ethyliminopent-3-enoate (PubChem CID 170590328) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is methyl (E)-4-amino-3-benzamido-2-ethyliminopent-3-enoate.

Molecular Properties

Compound Namemethyl (E)-4-amino-3-benzamido-2-ethyliminopent-3-enoate
PubChem CID170590328
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Namemethyl (E)-4-amino-3-benzamido-2-ethyliminopent-3-enoate
SMILESCC/N=C(C(=O)OC)/C(NC(=O)c1ccccc1)=C(/C)N
InChIInChI=1S/C15H19N3O3/c1-4-17-13(15(20)21-3)12(10(2)16)18-14(19)11-8-6-5-7-9-11/h5-9H,4,16H2,1-3H3,(H,18,19)/b12-10+,17-13-
InChIKeyFBCLTPGUNPSPEW-OUXZTOHCSA-N
XLogP1.24
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (E)-4-amino-3-benzamido-2-ethyliminopent-3-enoate 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

N-Benzoyl-beta-alanine Methyl Ester
CID 233486
Ethyl 3-benzamidopropanoate
CID 2827265
3-Benzoylamino-2-methylpropionic acid ethyl ester
CID 85788931
3-Benzoylamino-propionic acid butyl ester
CID 113221169
Butanoic acid, 3-(benzoylamino)-, methyl ester
CID 10857046
Ethyl 3-[(2,6-difluorobenzoyl)amino]-2-methyliminobut-3-enoate
CID 118297454
ethyl N-[(E)-5-[(4-fluorobenzoyl)amino]hex-4-en-3-ylidene]carbamate
CID 123726631
ethyl N-[(E)-5-[(4-fluorobenzoyl)amino]hept-4-en-3-ylidene]carbamate
CID 123966314
Ethyl 3-benzamido-2-diazo-3-oxopropanoate
CID 86217957
Methyl 3-[(4-fluorobenzoyl)amino]but-3-enoate
CID 1556359
ethyl (E,5R)-5-benzamidohex-3-enoate
CID 10264644
methyl (2S,3R)-3-benzamido-2-methylbutanoate
CID 10609798

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-amino-3-benzamido-2-ethyliminopent-3-enoate?
The IUPAC name of methyl (E)-4-amino-3-benzamido-2-ethyliminopent-3-enoate (CID 170590328) is methyl (E)-4-amino-3-benzamido-2-ethyliminopent-3-enoate.
What is the SMILES notation for methyl (E)-4-amino-3-benzamido-2-ethyliminopent-3-enoate?
The canonical SMILES for methyl (E)-4-amino-3-benzamido-2-ethyliminopent-3-enoate is CC/N=C(C(=O)OC)/C(NC(=O)c1ccccc1)=C(/C)N.
What is the InChIKey of methyl (E)-4-amino-3-benzamido-2-ethyliminopent-3-enoate?
The InChIKey is FBCLTPGUNPSPEW-OUXZTOHCSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-17-13(15(20)21-3)12(10(2)16)18-14(19)11-8-6-5-7-9-11/h5-9H,4,16H2,1-3H3,(H,18,19)/b12-10+,17-13-.
What are the key properties of methyl (E)-4-amino-3-benzamido-2-ethyliminopent-3-enoate?
methyl (E)-4-amino-3-benzamido-2-ethyliminopent-3-enoate has a molecular weight of 289.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-amino-3-benzamido-2-ethyliminopent-3-enoate is sourced from PubChem (CID 170590328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).