ethyl (E)-4-[methyl(propyl)amino]but-2-enoate

C10H19NO2 — CID 80549164

IUPACethyl (E)-4-[methyl(propyl)amino]but-2-enoate
SMILESCCCN(C)C/C=C/C(=O)OCC
InChIInChI=1S/C10H19NO2/c1-4-8-11(3)9-6-7-10(12)13-5-2/h6-7H,4-5,8-9H2,1-3H3/b7-6+
InChIKeyUUHZZIBSWXUNMD-VOTSOKGWSA-N
MW185.27 g/mol
LogP1.45
Rot. Bonds6

About ethyl (E)-4-[methyl(propyl)amino]but-2-enoate

ethyl (E)-4-[methyl(propyl)amino]but-2-enoate (PubChem CID 80549164) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl (E)-4-[methyl(propyl)amino]but-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-[methyl(propyl)amino]but-2-enoate
PubChem CID80549164
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl (E)-4-[methyl(propyl)amino]but-2-enoate
SMILESCCCN(C)C/C=C/C(=O)OCC
InChIInChI=1S/C10H19NO2/c1-4-8-11(3)9-6-7-10(12)13-5-2/h6-7H,4-5,8-9H2,1-3H3/b7-6+
InChIKeyUUHZZIBSWXUNMD-VOTSOKGWSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (E)-4-[methyl(propyl)amino]but-2-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

ethyl (E)-4-[3-aminopropyl(methyl)amino]but-2-enoate
CID 115319155
sodium;ethyl (E)-4-(dimethylamino)but-2-enoate;hydroxide
CID 174912002
4-[methyl(propyl)amino]but-2-enoic acid
CID 76941132
ethyl (E)-4-[cyclopropyl(propyl)amino]but-2-enoate
CID 80549163
ethyl (E)-4-[[(E)-4-ethoxy-4-oxobut-2-enyl]-(2-hydroxyethyl)amino]but-2-enoate
CID 169448702
ethyl (E)-4-[1-hydroxypropan-2-yl(methyl)amino]but-2-enoate
CID 104552556
ethyl (Z)-pent-2-enoate
CID 11332473
ethyl (E)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]but-2-enoate
CID 80549712
ethyl (E)-4-[2-[(5-iodo-2-pyridinyl)oxy]ethyl-methylamino]but-2-enoate
CID 154956611
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
CID 88935582
CID 88935582
ethyl (E)-4-[(4-bromothiophen-2-yl)methyl-methylamino]but-2-enoate
CID 80549177

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-[methyl(propyl)amino]but-2-enoate?
The IUPAC name of ethyl (E)-4-[methyl(propyl)amino]but-2-enoate (CID 80549164) is ethyl (E)-4-[methyl(propyl)amino]but-2-enoate.
What is the SMILES notation for ethyl (E)-4-[methyl(propyl)amino]but-2-enoate?
The canonical SMILES for ethyl (E)-4-[methyl(propyl)amino]but-2-enoate is CCCN(C)C/C=C/C(=O)OCC.
What is the InChIKey of ethyl (E)-4-[methyl(propyl)amino]but-2-enoate?
The InChIKey is UUHZZIBSWXUNMD-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-8-11(3)9-6-7-10(12)13-5-2/h6-7H,4-5,8-9H2,1-3H3/b7-6+.
What are the key properties of ethyl (E)-4-[methyl(propyl)amino]but-2-enoate?
ethyl (E)-4-[methyl(propyl)amino]but-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-[methyl(propyl)amino]but-2-enoate is sourced from PubChem (CID 80549164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).