ethane;methyl 3,3-dimethyl-2-(methylamino)butanoate

C14H35NO2 — CID 144704332

IUPACethane;methyl 3,3-dimethyl-2-(methylamino)butanoate
SMILESCC.CC.CC.CNC(C(=O)OC)C(C)(C)C
InChIInChI=1S/C8H17NO2.3C2H6/c1-8(2,3)6(9-4)7(10)11-5;3*1-2/h6,9H,1-5H3;3*1-2H3
InChIKeyUKIAZFQFOMQPAL-UHFFFAOYSA-N
MW249.44 g/mol
LogP3.87
Rot. Bonds2

About ethane;methyl 3,3-dimethyl-2-(methylamino)butanoate

ethane;methyl 3,3-dimethyl-2-(methylamino)butanoate (PubChem CID 144704332) has the molecular formula C14H35NO2 and a molecular weight of 249.44 g/mol. Its IUPAC name is ethane;methyl 3,3-dimethyl-2-(methylamino)butanoate.

Molecular Properties

Compound Nameethane;methyl 3,3-dimethyl-2-(methylamino)butanoate
PubChem CID144704332
Molecular FormulaC14H35NO2
Molecular Weight249.44 g/mol
Exact Mass249.27
IUPAC Nameethane;methyl 3,3-dimethyl-2-(methylamino)butanoate
SMILESCC.CC.CC.CNC(C(=O)OC)C(C)(C)C
InChIInChI=1S/C8H17NO2.3C2H6/c1-8(2,3)6(9-4)7(10)11-5;3*1-2/h6,9H,1-5H3;3*1-2H3
InChIKeyUKIAZFQFOMQPAL-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-2-(methylamino)butanoic acid;ethane
CID 143824756
methyl (2S)-2-formamido-3,3-dimethylbutanoate
CID 89249938
methyl (2S)-3-hydroxy-3-methyl-2-(methylamino)butanoate;2,2,2-trifluoroacetic acid
CID 175987432
methyl (2S)-2-hydroxy-3,3-dimethylbutanoate
CID 10953657
dimethyl 2-(methylamino)propanedioate;ethane
CID 143043774
methyl (2S)-2-(2-bromoprop-2-enylamino)-3,3-dimethylbutanoate
CID 84591628
dimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate
CID 14143488
ethoxy-[[(2R)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxophosphanium
CID 138482171
methyl 2-(1-adamantylamino)-3,3-dimethylbutanoate
CID 134907868
methyl 4,4-dimethyl-2-(methylamino)pentanoate
CID 62949491
methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 88576811
(3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid
CID 91435919

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3,3-dimethyl-2-(methylamino)butanoate?
The IUPAC name of ethane;methyl 3,3-dimethyl-2-(methylamino)butanoate (CID 144704332) is ethane;methyl 3,3-dimethyl-2-(methylamino)butanoate.
What is the SMILES notation for ethane;methyl 3,3-dimethyl-2-(methylamino)butanoate?
The canonical SMILES for ethane;methyl 3,3-dimethyl-2-(methylamino)butanoate is CC.CC.CC.CNC(C(=O)OC)C(C)(C)C.
What is the InChIKey of ethane;methyl 3,3-dimethyl-2-(methylamino)butanoate?
The InChIKey is UKIAZFQFOMQPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.3C2H6/c1-8(2,3)6(9-4)7(10)11-5;3*1-2/h6,9H,1-5H3;3*1-2H3.
What are the key properties of ethane;methyl 3,3-dimethyl-2-(methylamino)butanoate?
ethane;methyl 3,3-dimethyl-2-(methylamino)butanoate has a molecular weight of 249.44 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3,3-dimethyl-2-(methylamino)butanoate is sourced from PubChem (CID 144704332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).