2-[methyl(pentanoyl)amino]ethyl 2-methylprop-2-enoate

C12H21NO3 — CID 101151027

IUPAC2-[methyl(pentanoyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)C(=O)CCCC
InChIInChI=1S/C12H21NO3/c1-5-6-7-11(14)13(4)8-9-16-12(15)10(2)3/h2,5-9H2,1,3-4H3
InChIKeySKUFMMAGSQXDDK-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.75
Rot. Bonds7

About 2-[methyl(pentanoyl)amino]ethyl 2-methylprop-2-enoate

2-[methyl(pentanoyl)amino]ethyl 2-methylprop-2-enoate (PubChem CID 101151027) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[methyl(pentanoyl)amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[methyl(pentanoyl)amino]ethyl 2-methylprop-2-enoate
PubChem CID101151027
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[methyl(pentanoyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)C(=O)CCCC
InChIInChI=1S/C12H21NO3/c1-5-6-7-11(14)13(4)8-9-16-12(15)10(2)3/h2,5-9H2,1,3-4H3
InChIKeySKUFMMAGSQXDDK-UHFFFAOYSA-N
XLogP1.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[methyl(pentanoyl)amino]ethyl 2-methylprop-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

butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87280234
2-(dipentylamino)ethyl 2-methylprop-2-enoate
CID 54255314
2-[dodecanoyl(methyl)amino]ethyl dodecanoate
CID 87794388
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
butyl 2-methylprop-2-enoate;ethene
CID 158758814
2-[butanoyl(methyl)amino]ethyl acetate
CID 153197952
1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87743568
[4-[bis[3-(2-methylprop-2-enoyloxy)propyl]amino]-4-oxobutyl] 2-methylprop-2-enoate
CID 87748178
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate
CID 131725052
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pentanoyl)amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[methyl(pentanoyl)amino]ethyl 2-methylprop-2-enoate (CID 101151027) is 2-[methyl(pentanoyl)amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[methyl(pentanoyl)amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[methyl(pentanoyl)amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(C)C(=O)CCCC.
What is the InChIKey of 2-[methyl(pentanoyl)amino]ethyl 2-methylprop-2-enoate?
The InChIKey is SKUFMMAGSQXDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-5-6-7-11(14)13(4)8-9-16-12(15)10(2)3/h2,5-9H2,1,3-4H3.
What are the key properties of 2-[methyl(pentanoyl)amino]ethyl 2-methylprop-2-enoate?
2-[methyl(pentanoyl)amino]ethyl 2-methylprop-2-enoate has a molecular weight of 227.30 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pentanoyl)amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 101151027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).