5-amino-3,3-dimethylhexanoic acid

C8H17NO2 — CID 23009807

IUPAC5-amino-3,3-dimethylhexanoic acid
SMILESCC(N)CC(C)(C)CC(=O)O
InChIInChI=1S/C8H17NO2/c1-6(9)4-8(2,3)5-7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyOHUNOKZZHHYFLV-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.22
Rot. Bonds4

About 5-amino-3,3-dimethylhexanoic acid

5-amino-3,3-dimethylhexanoic acid (PubChem CID 23009807) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-amino-3,3-dimethylhexanoic acid.

Molecular Properties

Compound Name5-amino-3,3-dimethylhexanoic acid
PubChem CID23009807
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name5-amino-3,3-dimethylhexanoic acid
SMILESCC(N)CC(C)(C)CC(=O)O
InChIInChI=1S/C8H17NO2/c1-6(9)4-8(2,3)5-7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyOHUNOKZZHHYFLV-UHFFFAOYSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-hydroxy-3,3-dimethylheptanoic acid
CID 18717526
4-amino-3,3-dimethylbutanoic acid
CID 910834
4,4-dimethyl-6-methylideneoctan-2-amine
CID 66038569
3-(3-aminobutanoylamino)-3-methylbutanoic acid
CID 64684104
3-amino-3,4-dimethylpentanoic acid
CID 53414110
3,3-dimethyl-4-propan-2-yloxybutanoic acid
CID 81004424
4-amino-2,2-dimethylpentane-1-thiol
CID 89113826
5-bromo-4,4-dimethylpentan-2-amine
CID 126606470
3,3-dimethyl-5-oxohexanoic acid
CID 11332610
3,3-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729
5-amino-5-(2-chloro-4,5-difluorophenyl)-3,3-dimethylpentanoic acid
CID 107476711
5-amino-5-(3-bromothiophen-2-yl)-3,3-dimethylpentanoic acid
CID 80536071

Frequently Asked Questions

What is the IUPAC name of 5-amino-3,3-dimethylhexanoic acid?
The IUPAC name of 5-amino-3,3-dimethylhexanoic acid (CID 23009807) is 5-amino-3,3-dimethylhexanoic acid.
What is the SMILES notation for 5-amino-3,3-dimethylhexanoic acid?
The canonical SMILES for 5-amino-3,3-dimethylhexanoic acid is CC(N)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-amino-3,3-dimethylhexanoic acid?
The InChIKey is OHUNOKZZHHYFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(9)4-8(2,3)5-7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 5-amino-3,3-dimethylhexanoic acid?
5-amino-3,3-dimethylhexanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,3-dimethylhexanoic acid is sourced from PubChem (CID 23009807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).