6-amino-4,4,6-trimethylheptanoic acid

C10H21NO2 — CID 137482851

IUPAC6-amino-4,4,6-trimethylheptanoic acid
SMILESCC(C)(N)CC(C)(C)CCC(=O)O
InChIInChI=1S/C10H21NO2/c1-9(2,6-5-8(12)13)7-10(3,4)11/h5-7,11H2,1-4H3,(H,12,13)
InChIKeyUSSSYVKFYGJFHE-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.00
Rot. Bonds5

About 6-amino-4,4,6-trimethylheptanoic acid

6-amino-4,4,6-trimethylheptanoic acid (PubChem CID 137482851) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 6-amino-4,4,6-trimethylheptanoic acid.

Molecular Properties

Compound Name6-amino-4,4,6-trimethylheptanoic acid
PubChem CID137482851
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name6-amino-4,4,6-trimethylheptanoic acid
SMILESCC(C)(N)CC(C)(C)CCC(=O)O
InChIInChI=1S/C10H21NO2/c1-9(2,6-5-8(12)13)7-10(3,4)11/h5-7,11H2,1-4H3,(H,12,13)
InChIKeyUSSSYVKFYGJFHE-UHFFFAOYSA-N
XLogP2.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-amino-4,4,6-trimethylheptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid
CID 137482879
4-amino-4-methylpentanoic acid
CID 158438218
4,4,6,6,8,8-hexamethylnonanoic acid
CID 134471659
4,4-dimethylhexanoic acid
CID 12563914
7-methoxy-4,4,6,6-tetramethylheptanoic acid
CID 123236488
4,4,6,6-tetramethyl-8-oxodecanoic acid
CID 89192992
6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 65285788
4,4-dimethyl-6-oxoheptanoic acid
CID 15559932
4,4-diaminoheptanedioic acid
CID 158684867
4,4-dimethyl-6-sulfamoylhexanoic acid
CID 10609142
5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid
CID 169158624
5,5,5-trifluoro-4,4-dimethylpentanoic acid
CID 129074963

Frequently Asked Questions

What is the IUPAC name of 6-amino-4,4,6-trimethylheptanoic acid?
The IUPAC name of 6-amino-4,4,6-trimethylheptanoic acid (CID 137482851) is 6-amino-4,4,6-trimethylheptanoic acid.
What is the SMILES notation for 6-amino-4,4,6-trimethylheptanoic acid?
The canonical SMILES for 6-amino-4,4,6-trimethylheptanoic acid is CC(C)(N)CC(C)(C)CCC(=O)O.
What is the InChIKey of 6-amino-4,4,6-trimethylheptanoic acid?
The InChIKey is USSSYVKFYGJFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2,6-5-8(12)13)7-10(3,4)11/h5-7,11H2,1-4H3,(H,12,13).
What are the key properties of 6-amino-4,4,6-trimethylheptanoic acid?
6-amino-4,4,6-trimethylheptanoic acid has a molecular weight of 187.28 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,4,6-trimethylheptanoic acid is sourced from PubChem (CID 137482851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).