3-amino-4,5,5-trimethyloctanoic acid

C11H23NO2 — CID 11241099

IUPAC3-amino-4,5,5-trimethyloctanoic acid
SMILESCCCC(C)(C)C(C)C(N)CC(=O)O
InChIInChI=1S/C11H23NO2/c1-5-6-11(3,4)8(2)9(12)7-10(13)14/h8-9H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyOHDCYZMOSYFBTF-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.25
Rot. Bonds6

About 3-amino-4,5,5-trimethyloctanoic acid

3-amino-4,5,5-trimethyloctanoic acid (PubChem CID 11241099) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-amino-4,5,5-trimethyloctanoic acid.

Molecular Properties

Compound Name3-amino-4,5,5-trimethyloctanoic acid
PubChem CID11241099
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-amino-4,5,5-trimethyloctanoic acid
SMILESCCCC(C)(C)C(C)C(N)CC(=O)O
InChIInChI=1S/C11H23NO2/c1-5-6-11(3,4)8(2)9(12)7-10(13)14/h8-9H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyOHDCYZMOSYFBTF-UHFFFAOYSA-N
XLogP2.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5,5-trimethyloctanoic acid?
The IUPAC name of 3-amino-4,5,5-trimethyloctanoic acid (CID 11241099) is 3-amino-4,5,5-trimethyloctanoic acid.
What is the SMILES notation for 3-amino-4,5,5-trimethyloctanoic acid?
The canonical SMILES for 3-amino-4,5,5-trimethyloctanoic acid is CCCC(C)(C)C(C)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4,5,5-trimethyloctanoic acid?
The InChIKey is OHDCYZMOSYFBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-6-11(3,4)8(2)9(12)7-10(13)14/h8-9H,5-7,12H2,1-4H3,(H,13,14).
What are the key properties of 3-amino-4,5,5-trimethyloctanoic acid?
3-amino-4,5,5-trimethyloctanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5,5-trimethyloctanoic acid is sourced from PubChem (CID 11241099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).