2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride

C7H17Cl2NO2 — CID 140576476

IUPAC2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride
SMILESCC(C)(C)C(C)(N)C(=O)O.Cl.Cl
InChIInChI=1S/C7H15NO2.2ClH/c1-6(2,3)7(4,8)5(9)10;;/h8H2,1-4H3,(H,9,10);2*1H
InChIKeyKBKXDLBZWPQXKJ-UHFFFAOYSA-N
MW218.12 g/mol
LogP1.68
Rot. Bonds1

About 2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride

2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride (PubChem CID 140576476) has the molecular formula C7H17Cl2NO2 and a molecular weight of 218.12 g/mol. Its IUPAC name is 2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride
PubChem CID140576476
Molecular FormulaC7H17Cl2NO2
Molecular Weight218.12 g/mol
Exact Mass217.06
IUPAC Name2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride
SMILESCC(C)(C)C(C)(N)C(=O)O.Cl.Cl
InChIInChI=1S/C7H15NO2.2ClH/c1-6(2,3)7(4,8)5(9)10;;/h8H2,1-4H3,(H,9,10);2*1H
InChIKeyKBKXDLBZWPQXKJ-UHFFFAOYSA-N
XLogP1.68
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride?
The IUPAC name of 2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride (CID 140576476) is 2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride.
What is the SMILES notation for 2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride?
The canonical SMILES for 2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride is CC(C)(C)C(C)(N)C(=O)O.Cl.Cl.
What is the InChIKey of 2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride?
The InChIKey is KBKXDLBZWPQXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.2ClH/c1-6(2,3)7(4,8)5(9)10;;/h8H2,1-4H3,(H,9,10);2*1H.
What are the key properties of 2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride?
2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride has a molecular weight of 218.12 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride is sourced from PubChem (CID 140576476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).