methyl 2-(dimethylamino)butanoate

C7H15NO2 — CID 14644900

IUPACmethyl 2-(dimethylamino)butanoate
SMILESCCC(C(=O)OC)N(C)C
InChIInChI=1S/C7H15NO2/c1-5-6(8(2)3)7(9)10-4/h6H,5H2,1-4H3
InChIKeyBRBDXQKDWYTBSM-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.50
Rot. Bonds3

About methyl 2-(dimethylamino)butanoate

methyl 2-(dimethylamino)butanoate (PubChem CID 14644900) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl 2-(dimethylamino)butanoate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)butanoate
PubChem CID14644900
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl 2-(dimethylamino)butanoate
SMILESCCC(C(=O)OC)N(C)C
InChIInChI=1S/C7H15NO2/c1-5-6(8(2)3)7(9)10-4/h6H,5H2,1-4H3
InChIKeyBRBDXQKDWYTBSM-UHFFFAOYSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671
ethane;methyl 2-[ethyl(methyl)amino]butanoate
CID 145131667
methyl (2R)-2-(diethylamino)butanoate
CID 30030921
methyl 2-(dimethylamino)-3-methoxypropanoate
CID 59922480
(2S)-2-(dimethylamino)butanehydrazide
CID 30403559
methyl (2S)-6-amino-2-(dimethylamino)hexanoate
CID 22894949
methyl (2R)-2-[chloro(methyl)amino]pentanoate
CID 137490579
2-(dimethylamino)-3-methylsulfanylpropanoic acid;methanol;methyl 2-(dimethylamino)-3-methylsulfanylpropanoate
CID 160501540
dimethyl (2S)-2-(diethylamino)butanedioate
CID 7060831
methyl 2-[methyl-[(2E)-penta-2,4-dienyl]amino]butanoate
CID 101060319
methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate
CID 62900263
methyl 4,6,6,6-tetrachloro-2-ethyl-3,3-dimethylhexanoate
CID 12810694

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)butanoate?
The IUPAC name of methyl 2-(dimethylamino)butanoate (CID 14644900) is methyl 2-(dimethylamino)butanoate.
What is the SMILES notation for methyl 2-(dimethylamino)butanoate?
The canonical SMILES for methyl 2-(dimethylamino)butanoate is CCC(C(=O)OC)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)butanoate?
The InChIKey is BRBDXQKDWYTBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5-6(8(2)3)7(9)10-4/h6H,5H2,1-4H3.
What are the key properties of methyl 2-(dimethylamino)butanoate?
methyl 2-(dimethylamino)butanoate has a molecular weight of 145.20 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)butanoate is sourced from PubChem (CID 14644900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).