(2S)-3,3-dimethyl-2-(methylamino)butanoic acid

C7H15NO2 — CID 15640260

IUPAC(2S)-3,3-dimethyl-2-(methylamino)butanoic acid
SMILESCN[C@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C7H15NO2/c1-7(2,3)5(8-4)6(9)10/h5,8H,1-4H3,(H,9,10)/t5-/m1/s1
InChIKeyKWWFNGCKGYUCLC-RXMQYKEDSA-N
MW145.20 g/mol
LogP0.71
Rot. Bonds2

About (2S)-3,3-dimethyl-2-(methylamino)butanoic acid

(2S)-3,3-dimethyl-2-(methylamino)butanoic acid (PubChem CID 15640260) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-2-(methylamino)butanoic acid
PubChem CID15640260
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2S)-3,3-dimethyl-2-(methylamino)butanoic acid
SMILESCN[C@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C7H15NO2/c1-7(2,3)5(8-4)6(9)10/h5,8H,1-4H3,(H,9,10)/t5-/m1/s1
InChIKeyKWWFNGCKGYUCLC-RXMQYKEDSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(Methoxycarbonyl)-L-tert-leucine
CID 11263950
D-tert-leucine
CID 6950340
L-tert-Leucine
CID 164608
N-Methyl-L-valine
CID 444080
2-Amino-3,3-dimethylbutanoic acid
CID 306131
N-Methylvaline
CID 4378
(2R)-2-acetamido-3,3-dimethylbutanoic acid
CID 11206053
(2S)-2-acetamido-3,3-dimethylbutanoic acid
CID 11469346
(2S)-2-(dimethylamino)-3,3-dimethylbutanoic acid
CID 22885074
N-Methyl-D-valine
CID 6951143
N-Ethyl-L-valine
CID 10729971
N-(carboxymethyl)valine
CID 558642

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-2-(methylamino)butanoic acid?
The IUPAC name of (2S)-3,3-dimethyl-2-(methylamino)butanoic acid (CID 15640260) is (2S)-3,3-dimethyl-2-(methylamino)butanoic acid.
What is the SMILES notation for (2S)-3,3-dimethyl-2-(methylamino)butanoic acid?
The canonical SMILES for (2S)-3,3-dimethyl-2-(methylamino)butanoic acid is CN[C@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2S)-3,3-dimethyl-2-(methylamino)butanoic acid?
The InChIKey is KWWFNGCKGYUCLC-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2,3)5(8-4)6(9)10/h5,8H,1-4H3,(H,9,10)/t5-/m1/s1.
What are the key properties of (2S)-3,3-dimethyl-2-(methylamino)butanoic acid?
(2S)-3,3-dimethyl-2-(methylamino)butanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-2-(methylamino)butanoic acid is sourced from PubChem (CID 15640260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).