methyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate

C12H25NO2 — CID 116910331

IUPACmethyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate
SMILESCOC(=O)C(C)(C)C(N(C)C)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-11(2,3)9(13(6)7)12(4,5)10(14)15-8/h9H,1-8H3
InChIKeyMDIUUMVEBFOKRL-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.16
Rot. Bonds3

About methyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate

methyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate (PubChem CID 116910331) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is methyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate
PubChem CID116910331
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namemethyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate
SMILESCOC(=O)C(C)(C)C(N(C)C)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-11(2,3)9(13(6)7)12(4,5)10(14)15-8/h9H,1-8H3
InChIKeyMDIUUMVEBFOKRL-UHFFFAOYSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(dimethylamino)-2,2-dimethylhexanoate
CID 116910329
dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate
CID 105489493
methyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate
CID 16658549
methyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride
CID 146049302
dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate;methane
CID 161413673
methyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate
CID 116910352
methyl 3-[tert-butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoate
CID 115174771
methyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 79623514
methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate
CID 43726051
methyl 3-(dimethylamino)-3-(3-methoxyphenyl)-2,2-dimethylpropanoate
CID 116910360
methyl 3-amino-2,2-dimethylhexanoate
CID 115014178
methyl 2,2,3,6,6-pentamethyl-5-oxoheptanoate
CID 10489549

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate?
The IUPAC name of methyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate (CID 116910331) is methyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate.
What is the SMILES notation for methyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate?
The canonical SMILES for methyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate is COC(=O)C(C)(C)C(N(C)C)C(C)(C)C.
What is the InChIKey of methyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate?
The InChIKey is MDIUUMVEBFOKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2,3)9(13(6)7)12(4,5)10(14)15-8/h9H,1-8H3.
What are the key properties of methyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate?
methyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate has a molecular weight of 215.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate is sourced from PubChem (CID 116910331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).