ethyl 3-[methyl(2-methylpentyl)amino]propanoate

C12H25NO2 — CID 62265391

IUPACethyl 3-[methyl(2-methylpentyl)amino]propanoate
SMILESCCCC(C)CN(C)CCC(=O)OCC
InChIInChI=1S/C12H25NO2/c1-5-7-11(3)10-13(4)9-8-12(14)15-6-2/h11H,5-10H2,1-4H3
InChIKeyHYZNDMLIEZFYMK-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.31
Rot. Bonds8

About ethyl 3-[methyl(2-methylpentyl)amino]propanoate

ethyl 3-[methyl(2-methylpentyl)amino]propanoate (PubChem CID 62265391) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethyl 3-[methyl(2-methylpentyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl(2-methylpentyl)amino]propanoate
PubChem CID62265391
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethyl 3-[methyl(2-methylpentyl)amino]propanoate
SMILESCCCC(C)CN(C)CCC(=O)OCC
InChIInChI=1S/C12H25NO2/c1-5-7-11(3)10-13(4)9-8-12(14)15-6-2/h11H,5-10H2,1-4H3
InChIKeyHYZNDMLIEZFYMK-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-[methyl(2-methylpentyl)amino]propanoate 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 3-[2-fluoropropyl(methyl)amino]propanoate
CID 44521775
ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate
CID 63029409
ethyl 5-amino-4-methyloctanoate
CID 174963331
ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate
CID 62012804
ethyl 4-[methyl(propyl)amino]butanoate
CID 164991829
diethyl 3-methylheptanedioate
CID 121008602
diethyl (2S)-2-methylpentanedioate
CID 89120789
ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
CID 11368942
ethyl 3-[amino(butan-2-yl)amino]propanoate
CID 156543048
ethyl 4,5-dimethylnonanoate
CID 91431397
ethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate
CID 10515446
ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl(2-methylpentyl)amino]propanoate?
The IUPAC name of ethyl 3-[methyl(2-methylpentyl)amino]propanoate (CID 62265391) is ethyl 3-[methyl(2-methylpentyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl(2-methylpentyl)amino]propanoate?
The canonical SMILES for ethyl 3-[methyl(2-methylpentyl)amino]propanoate is CCCC(C)CN(C)CCC(=O)OCC.
What is the InChIKey of ethyl 3-[methyl(2-methylpentyl)amino]propanoate?
The InChIKey is HYZNDMLIEZFYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-7-11(3)10-13(4)9-8-12(14)15-6-2/h11H,5-10H2,1-4H3.
What are the key properties of ethyl 3-[methyl(2-methylpentyl)amino]propanoate?
ethyl 3-[methyl(2-methylpentyl)amino]propanoate has a molecular weight of 215.34 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl(2-methylpentyl)amino]propanoate is sourced from PubChem (CID 62265391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).