(2R)-2-amino-3,3-dimethylbutanoic acid

C6H13NO2 — CID 6950340

IUPAC(2R)-2-amino-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](N)C(=O)O
InChIInChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m0/s1
InChIKeyNPDBDJFLKKQMCM-BYPYZUCNSA-N
MW131.17 g/mol
LogP0.44
Rot. Bonds1

About (2R)-2-amino-3,3-dimethylbutanoic acid

(2R)-2-amino-3,3-dimethylbutanoic acid (PubChem CID 6950340) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethylbutanoic acid
PubChem CID6950340
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(2R)-2-amino-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](N)C(=O)O
InChIInChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m0/s1
InChIKeyNPDBDJFLKKQMCM-BYPYZUCNSA-N
XLogP0.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-amino-3,3-dimethylbutanoic acid (CID 6950340) is (2R)-2-amino-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-amino-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-amino-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3,3-dimethylbutanoic acid?
The InChIKey is NPDBDJFLKKQMCM-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethylbutanoic acid?
(2R)-2-amino-3,3-dimethylbutanoic acid has a molecular weight of 131.17 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethylbutanoic acid is sourced from PubChem (CID 6950340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).