methyl (E)-4-[acetyl(ethyl)amino]pent-2-enoate

C10H17NO3 — CID 20668261

IUPACmethyl (E)-4-[acetyl(ethyl)amino]pent-2-enoate
SMILESCCN(C(C)=O)C(C)/C=C/C(=O)OC
InChIInChI=1S/C10H17NO3/c1-5-11(9(3)12)8(2)6-7-10(13)14-4/h6-8H,5H2,1-4H3/b7-6+
InChIKeyQVJGLUOGVGLLSQ-VOTSOKGWSA-N
MW199.25 g/mol
LogP0.97
Rot. Bonds4

About methyl (E)-4-[acetyl(ethyl)amino]pent-2-enoate

methyl (E)-4-[acetyl(ethyl)amino]pent-2-enoate (PubChem CID 20668261) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl (E)-4-[acetyl(ethyl)amino]pent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-[acetyl(ethyl)amino]pent-2-enoate
PubChem CID20668261
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl (E)-4-[acetyl(ethyl)amino]pent-2-enoate
SMILESCCN(C(C)=O)C(C)/C=C/C(=O)OC
InChIInChI=1S/C10H17NO3/c1-5-11(9(3)12)8(2)6-7-10(13)14-4/h6-8H,5H2,1-4H3/b7-6+
InChIKeyQVJGLUOGVGLLSQ-VOTSOKGWSA-N
XLogP0.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-[acetyl(ethyl)amino]pent-2-enoate?
The IUPAC name of methyl (E)-4-[acetyl(ethyl)amino]pent-2-enoate (CID 20668261) is methyl (E)-4-[acetyl(ethyl)amino]pent-2-enoate.
What is the SMILES notation for methyl (E)-4-[acetyl(ethyl)amino]pent-2-enoate?
The canonical SMILES for methyl (E)-4-[acetyl(ethyl)amino]pent-2-enoate is CCN(C(C)=O)C(C)/C=C/C(=O)OC.
What is the InChIKey of methyl (E)-4-[acetyl(ethyl)amino]pent-2-enoate?
The InChIKey is QVJGLUOGVGLLSQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H17NO3/c1-5-11(9(3)12)8(2)6-7-10(13)14-4/h6-8H,5H2,1-4H3/b7-6+.
What are the key properties of methyl (E)-4-[acetyl(ethyl)amino]pent-2-enoate?
methyl (E)-4-[acetyl(ethyl)amino]pent-2-enoate has a molecular weight of 199.25 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-[acetyl(ethyl)amino]pent-2-enoate is sourced from PubChem (CID 20668261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).