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

C6H13NO2 — CID 6951143

IUPAC(2R)-3-methyl-2-(methylamino)butanoic acid
SMILESCN[C@@H](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)/t5-/m1/s1
InChIKeyAKCRVYNORCOYQT-RXMQYKEDSA-N
MW131.17 g/mol
LogP0.31
Rot. Bonds3

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

(2R)-3-methyl-2-(methylamino)butanoic acid (PubChem CID 6951143) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (2R)-3-methyl-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-(methylamino)butanoic acid
PubChem CID6951143
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(2R)-3-methyl-2-(methylamino)butanoic acid
SMILESCN[C@@H](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)/t5-/m1/s1
InChIKeyAKCRVYNORCOYQT-RXMQYKEDSA-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

L-Valine
CID 6287
DL-valine
CID 1182
D-Valine
CID 71563
N-Methyl-L-Alanine
CID 5288725
(2R)-2-(carbamoylamino)-3-methylbutanoic acid
CID 448879
N-Acetyl-L-valine
CID 66789
Glycyl-L-valine
CID 2724807
N-acetyl-D-valine
CID 76475
(2S)-2-((methoxycarbonyl)amino)-3-methylbutanoic acid
CID 10942966
Glycylvaline
CID 97417
N-(2-cyanoethyl)valine
CID 11665476
Carbon C 13/Nitrogen N 15-labeled Valine
CID 12164856

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(methylamino)butanoic acid?
The IUPAC name of (2R)-3-methyl-2-(methylamino)butanoic acid (CID 6951143) is (2R)-3-methyl-2-(methylamino)butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-(methylamino)butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-(methylamino)butanoic acid is CN[C@@H](C(=O)O)C(C)C.
What is the InChIKey of (2R)-3-methyl-2-(methylamino)butanoic acid?
The InChIKey is AKCRVYNORCOYQT-RXMQYKEDSA-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)/t5-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(methylamino)butanoic acid?
(2R)-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 (2R)-3-methyl-2-(methylamino)butanoic acid is sourced from PubChem (CID 6951143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).