3-methyl-2-(methylamino)butanoic acid

C6H13NO2 — CID 4378

IUPAC3-methyl-2-(methylamino)butanoic acid
SMILESCNC(C(=O)O)C(C)C
InChIInChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)
InChIKeyAKCRVYNORCOYQT-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.31
Rot. Bonds3

About 3-methyl-2-(methylamino)butanoic acid

3-methyl-2-(methylamino)butanoic acid (PubChem CID 4378) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 3-methyl-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(methylamino)butanoic acid
PubChem CID4378
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name3-methyl-2-(methylamino)butanoic acid
SMILESCNC(C(=O)O)C(C)C
InChIInChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)
InChIKeyAKCRVYNORCOYQT-UHFFFAOYSA-N
XLogP0.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
3,4-dimethyl-2-(methylamino)pentanoic acid
CID 15385160
(3S)-3-hydroxy-2-(methylamino)butanoic acid
CID 130189259
(2S)-2-(deuteriomethylamino)-3-methylbutanoic acid;hydrochloride
CID 139935333
(2S,3R)-2-hydroxy-3-(methylamino)butanedioic acid
CID 170652608
3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid
CID 116914027
(2S,3S)-3-formyl-4-methyl-2-(methylamino)pentanoic acid
CID 87990992
chloromethylbenzene;(2S)-3-methyl-2-(methylamino)butanoic acid
CID 158468686
methane;4-methyl-3-(methylamino)pentan-2-one
CID 158029280
(3S)-2-hydroxy-3-(methylamino)butanedioic acid;hydrochloride
CID 88679136
(2R)-3,3-difluoro-2-(methylamino)propanoic acid
CID 150436276
(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride
CID 122173693

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(methylamino)butanoic acid?
The IUPAC name of 3-methyl-2-(methylamino)butanoic acid (CID 4378) is 3-methyl-2-(methylamino)butanoic acid.
What is the SMILES notation for 3-methyl-2-(methylamino)butanoic acid?
The canonical SMILES for 3-methyl-2-(methylamino)butanoic acid is CNC(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-(methylamino)butanoic acid?
The InChIKey is AKCRVYNORCOYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9).
What are the key properties of 3-methyl-2-(methylamino)butanoic acid?
3-methyl-2-(methylamino)butanoic acid has a molecular weight of 131.17 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylamino)butanoic acid is sourced from PubChem (CID 4378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).