methyl (3R)-3-(diethylamino)-4-methylpentanoate

C11H23NO2 — CID 59252938

IUPACmethyl (3R)-3-(diethylamino)-4-methylpentanoate
SMILESCCN(CC)[C@H](CC(=O)OC)C(C)C
InChIInChI=1S/C11H23NO2/c1-6-12(7-2)10(9(3)4)8-11(13)14-5/h9-10H,6-8H2,1-5H3/t10-/m1/s1
InChIKeyFZJRSEKBIYOWPH-SNVBAGLBSA-N
MW201.31 g/mol
LogP1.92
Rot. Bonds6

About methyl (3R)-3-(diethylamino)-4-methylpentanoate

methyl (3R)-3-(diethylamino)-4-methylpentanoate (PubChem CID 59252938) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl (3R)-3-(diethylamino)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(diethylamino)-4-methylpentanoate
PubChem CID59252938
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl (3R)-3-(diethylamino)-4-methylpentanoate
SMILESCCN(CC)[C@H](CC(=O)OC)C(C)C
InChIInChI=1S/C11H23NO2/c1-6-12(7-2)10(9(3)4)8-11(13)14-5/h9-10H,6-8H2,1-5H3/t10-/m1/s1
InChIKeyFZJRSEKBIYOWPH-SNVBAGLBSA-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

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Related Compounds

Methyl 4-(diethylamino)-2-methylpentanoate
CID 10013062
Methyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate
CID 85290785
tert-butyl (3R)-3-[di(propan-2-yl)amino]-4-methylpentanoate
CID 134989168
Methyl 3-[di(propan-2-yl)amino]-3-methylbutanoate
CID 134989274
methyl (3R)-4-methyl-3-(methylamino)pentanoate
CID 135040573
3-((Cyclobutanecarbonyloxy)-1-methylpropyl)dimethylammonium Oxalate
CID 25158667
Methyl 4-[ethyl-(5-methoxy-4-methyl-5-oxopentan-2-yl)amino]-2-methylpentanoate
CID 9972096
Methyl 2-methyl-3-morpholin-4-ylpentanoate
CID 50905634
Methyl 2-[(dimethylamino)methyl]-4-methylpentanoate
CID 117242042
Methyl 3-(methyl(3-methylbutan-2-yl)amino)propanoate
CID 43570318
2-[[Methyl(propan-2-yl)amino]methyl]pentanoic acid
CID 54475032
Methyl 3-(dimethanidylamino)pentanoate;tungsten
CID 57730774

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(diethylamino)-4-methylpentanoate?
The IUPAC name of methyl (3R)-3-(diethylamino)-4-methylpentanoate (CID 59252938) is methyl (3R)-3-(diethylamino)-4-methylpentanoate.
What is the SMILES notation for methyl (3R)-3-(diethylamino)-4-methylpentanoate?
The canonical SMILES for methyl (3R)-3-(diethylamino)-4-methylpentanoate is CCN(CC)[C@H](CC(=O)OC)C(C)C.
What is the InChIKey of methyl (3R)-3-(diethylamino)-4-methylpentanoate?
The InChIKey is FZJRSEKBIYOWPH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-12(7-2)10(9(3)4)8-11(13)14-5/h9-10H,6-8H2,1-5H3/t10-/m1/s1.
What are the key properties of methyl (3R)-3-(diethylamino)-4-methylpentanoate?
methyl (3R)-3-(diethylamino)-4-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 (3R)-3-(diethylamino)-4-methylpentanoate is sourced from PubChem (CID 59252938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).