methyl 4-(diethylamino)-2-methylpentanoate

C11H23NO2 — CID 10013062

IUPACmethyl 4-(diethylamino)-2-methylpentanoate
SMILESCCN(CC)C(C)CC(C)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-6-12(7-2)10(4)8-9(3)11(13)14-5/h9-10H,6-8H2,1-5H3
InChIKeyBETNOBBQYZFHNF-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.92
Rot. Bonds6

About methyl 4-(diethylamino)-2-methylpentanoate

methyl 4-(diethylamino)-2-methylpentanoate (PubChem CID 10013062) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 4-(diethylamino)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 4-(diethylamino)-2-methylpentanoate
PubChem CID10013062
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 4-(diethylamino)-2-methylpentanoate
SMILESCCN(CC)C(C)CC(C)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-6-12(7-2)10(4)8-9(3)11(13)14-5/h9-10H,6-8H2,1-5H3
InChIKeyBETNOBBQYZFHNF-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-(diethylamino)-2-methylpentanoate 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

4-(Trimethylammonio)pentanoate
CID 90655245
Methyl 4-(3-fluoropropylamino)-2-methylpentanoate
CID 104646495
Methyl 4-[ethyl-(5-methoxy-4-methyl-5-oxopentan-2-yl)amino]-2-methylpentanoate
CID 9972096
Methyl 4-[bis(5-methoxy-4-methyl-5-oxopentan-2-yl)amino]-2-methylpentanoate
CID 10046626
Methyl 4-(diethylamino)-2-methylbutanoate
CID 19865975
(3-Ethyl-5-methoxy-5-oxopentan-2-yl)-trimethylazanium
CID 54458517
CID 58391094
CID 58391094
methyl (2R)-2-methyl-4-(methylamino)pentanoate
CID 58391119
methyl (2S)-2-methyl-4-(methylamino)pentanoate
CID 58391134
methyl (2S,4S)-2-methyl-4-(methylamino)pentanoate
CID 58391198
methyl (3R)-3-(diethylamino)-4-methylpentanoate
CID 59252938
Methyl 4-[di(propan-2-yl)amino]butanoate
CID 60173815

Frequently Asked Questions

What is the IUPAC name of methyl 4-(diethylamino)-2-methylpentanoate?
The IUPAC name of methyl 4-(diethylamino)-2-methylpentanoate (CID 10013062) is methyl 4-(diethylamino)-2-methylpentanoate.
What is the SMILES notation for methyl 4-(diethylamino)-2-methylpentanoate?
The canonical SMILES for methyl 4-(diethylamino)-2-methylpentanoate is CCN(CC)C(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 4-(diethylamino)-2-methylpentanoate?
The InChIKey is BETNOBBQYZFHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-12(7-2)10(4)8-9(3)11(13)14-5/h9-10H,6-8H2,1-5H3.
What are the key properties of methyl 4-(diethylamino)-2-methylpentanoate?
methyl 4-(diethylamino)-2-methylpentanoate has a molecular weight of 201.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(diethylamino)-2-methylpentanoate is sourced from PubChem (CID 10013062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).