3,3-dimethyl-2-(methylamino)butanoic acid;ethane

C9H21NO2 — CID 143824756

IUPAC3,3-dimethyl-2-(methylamino)butanoic acid;ethane
SMILESCC.CNC(C(=O)O)C(C)(C)C
InChIInChI=1S/C7H15NO2.C2H6/c1-7(2,3)5(8-4)6(9)10;1-2/h5,8H,1-4H3,(H,9,10);1-2H3
InChIKeyIPERUPLEOOGNSV-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.73
Rot. Bonds2

About 3,3-dimethyl-2-(methylamino)butanoic acid;ethane

3,3-dimethyl-2-(methylamino)butanoic acid;ethane (PubChem CID 143824756) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3,3-dimethyl-2-(methylamino)butanoic acid;ethane.

Molecular Properties

Compound Name3,3-dimethyl-2-(methylamino)butanoic acid;ethane
PubChem CID143824756
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3,3-dimethyl-2-(methylamino)butanoic acid;ethane
SMILESCC.CNC(C(=O)O)C(C)(C)C
InChIInChI=1S/C7H15NO2.C2H6/c1-7(2,3)5(8-4)6(9)10;1-2/h5,8H,1-4H3,(H,9,10);1-2H3
InChIKeyIPERUPLEOOGNSV-UHFFFAOYSA-N
XLogP1.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methyl 3,3-dimethyl-2-(methylamino)butanoate
CID 144704332
3-methyl-2-(methylamino)-3-methylsulfanylbutanoic acid;vanadium
CID 160694927
carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+)
CID 166560279
5-amino-3,3,5-trimethyl-2-(methylamino)hexanoic acid
CID 144799447
(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
CID 61143223
2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 10330133
3,3-dimethyl-2-(propylamino)butanoic acid
CID 61326415
ethane;3-methyl-2-(methylamino)-3-(3-methylphenyl)butanoic acid
CID 142877351
(2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid
CID 103927205
2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid
CID 43468064
hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 86656444
(2S)-3,3-dimethyl-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 61144091

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(methylamino)butanoic acid;ethane?
The IUPAC name of 3,3-dimethyl-2-(methylamino)butanoic acid;ethane (CID 143824756) is 3,3-dimethyl-2-(methylamino)butanoic acid;ethane.
What is the SMILES notation for 3,3-dimethyl-2-(methylamino)butanoic acid;ethane?
The canonical SMILES for 3,3-dimethyl-2-(methylamino)butanoic acid;ethane is CC.CNC(C(=O)O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-(methylamino)butanoic acid;ethane?
The InChIKey is IPERUPLEOOGNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C2H6/c1-7(2,3)5(8-4)6(9)10;1-2/h5,8H,1-4H3,(H,9,10);1-2H3.
What are the key properties of 3,3-dimethyl-2-(methylamino)butanoic acid;ethane?
3,3-dimethyl-2-(methylamino)butanoic acid;ethane has a molecular weight of 175.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(methylamino)butanoic acid;ethane is sourced from PubChem (CID 143824756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).