4-amino-3,5,5-trimethylhexanoic acid

C9H19NO2 — CID 116938121

IUPAC4-amino-3,5,5-trimethylhexanoic acid
SMILESCC(CC(=O)O)C(N)C(C)(C)C
InChIInChI=1S/C9H19NO2/c1-6(5-7(11)12)8(10)9(2,3)4/h6,8H,5,10H2,1-4H3,(H,11,12)
InChIKeyWUNZRPJBXDAZDJ-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.47
Rot. Bonds3

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

4-amino-3,5,5-trimethylhexanoic acid (PubChem CID 116938121) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-amino-3,5,5-trimethylhexanoic acid.

Molecular Properties

Compound Name4-amino-3,5,5-trimethylhexanoic acid
PubChem CID116938121
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-amino-3,5,5-trimethylhexanoic acid
SMILESCC(CC(=O)O)C(N)C(C)(C)C
InChIInChI=1S/C9H19NO2/c1-6(5-7(11)12)8(10)9(2,3)4/h6,8H,5,10H2,1-4H3,(H,11,12)
InChIKeyWUNZRPJBXDAZDJ-UHFFFAOYSA-N
XLogP1.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3,5-dimethylhexanoic acid
CID 102537839
(2R,3S)-2-amino-3-methylpentanedioic acid
CID 6604760
3-amino-4,4-dimethylpentanoic acid;hydrochloride
CID 89306426
(3R)-2-amino-3-methylpentanedioic acid
CID 90857110
3-amino-4,6,6-trimethylheptanoic acid
CID 83907086
4-(dimethylamino)-3,5,5-trimethylhexanoic acid
CID 116908129
3-amino-4,4-dimethylhexanoic acid
CID 131229522
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 61161578
2,2-dimethylpentanoic acid;3,4-dimethylpentanoic acid
CID 175526409
2,3-diamino-4,4-dimethylpentanoic acid
CID 116942173
3-amino-4,5,6-trimethylheptanoic acid
CID 11367460

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5,5-trimethylhexanoic acid?
The IUPAC name of 4-amino-3,5,5-trimethylhexanoic acid (CID 116938121) is 4-amino-3,5,5-trimethylhexanoic acid.
What is the SMILES notation for 4-amino-3,5,5-trimethylhexanoic acid?
The canonical SMILES for 4-amino-3,5,5-trimethylhexanoic acid is CC(CC(=O)O)C(N)C(C)(C)C.
What is the InChIKey of 4-amino-3,5,5-trimethylhexanoic acid?
The InChIKey is WUNZRPJBXDAZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(5-7(11)12)8(10)9(2,3)4/h6,8H,5,10H2,1-4H3,(H,11,12).
What are the key properties of 4-amino-3,5,5-trimethylhexanoic acid?
4-amino-3,5,5-trimethylhexanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5,5-trimethylhexanoic acid is sourced from PubChem (CID 116938121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).