2-amino-2-methylhexanoic acid

C7H15NO2 — CID 5105431

IUPAC2-amino-2-methylhexanoic acid
SMILESCCCCC(C)(N)C(=O)O
InChIInChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)
InChIKeyLKZQHZQXROBVOO-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.98
Rot. Bonds4

About 2-amino-2-methylhexanoic acid

2-amino-2-methylhexanoic acid (PubChem CID 5105431) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-amino-2-methylhexanoic acid.

Molecular Properties

Compound Name2-amino-2-methylhexanoic acid
PubChem CID5105431
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-amino-2-methylhexanoic acid
SMILESCCCCC(C)(N)C(=O)O
InChIInChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)
InChIKeyLKZQHZQXROBVOO-UHFFFAOYSA-N
XLogP0.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylhexanoic acid?
The IUPAC name of 2-amino-2-methylhexanoic acid (CID 5105431) is 2-amino-2-methylhexanoic acid.
What is the SMILES notation for 2-amino-2-methylhexanoic acid?
The canonical SMILES for 2-amino-2-methylhexanoic acid is CCCCC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-2-methylhexanoic acid?
The InChIKey is LKZQHZQXROBVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10).
What are the key properties of 2-amino-2-methylhexanoic acid?
2-amino-2-methylhexanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylhexanoic acid is sourced from PubChem (CID 5105431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).