3-(2-aminopropan-2-yl)-3,6-dimethylheptanoic acid

C12H25NO2 — CID 66089083

IUPAC3-(2-aminopropan-2-yl)-3,6-dimethylheptanoic acid
SMILESCC(C)CCC(C)(CC(=O)O)C(C)(C)N
InChIInChI=1S/C12H25NO2/c1-9(2)6-7-12(5,8-10(14)15)11(3,4)13/h9H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyPLOGXRPLJXZEDA-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.64
Rot. Bonds6

About 3-(2-aminopropan-2-yl)-3,6-dimethylheptanoic acid

3-(2-aminopropan-2-yl)-3,6-dimethylheptanoic acid (PubChem CID 66089083) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-3,6-dimethylheptanoic acid.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-3,6-dimethylheptanoic acid
PubChem CID66089083
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-(2-aminopropan-2-yl)-3,6-dimethylheptanoic acid
SMILESCC(C)CCC(C)(CC(=O)O)C(C)(C)N
InChIInChI=1S/C12H25NO2/c1-9(2)6-7-12(5,8-10(14)15)11(3,4)13/h9H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyPLOGXRPLJXZEDA-UHFFFAOYSA-N
XLogP2.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-3,6-dimethylheptanoic acid?
The IUPAC name of 3-(2-aminopropan-2-yl)-3,6-dimethylheptanoic acid (CID 66089083) is 3-(2-aminopropan-2-yl)-3,6-dimethylheptanoic acid.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-3,6-dimethylheptanoic acid?
The canonical SMILES for 3-(2-aminopropan-2-yl)-3,6-dimethylheptanoic acid is CC(C)CCC(C)(CC(=O)O)C(C)(C)N.
What is the InChIKey of 3-(2-aminopropan-2-yl)-3,6-dimethylheptanoic acid?
The InChIKey is PLOGXRPLJXZEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(2)6-7-12(5,8-10(14)15)11(3,4)13/h9H,6-8,13H2,1-5H3,(H,14,15).
What are the key properties of 3-(2-aminopropan-2-yl)-3,6-dimethylheptanoic acid?
3-(2-aminopropan-2-yl)-3,6-dimethylheptanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-3,6-dimethylheptanoic acid is sourced from PubChem (CID 66089083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).