4-amino-3,5-dimethylhexanoic acid

C8H17NO2 — CID 102537839

IUPAC4-amino-3,5-dimethylhexanoic acid
SMILESCC(C)C(N)C(C)CC(=O)O
InChIInChI=1S/C8H17NO2/c1-5(2)8(9)6(3)4-7(10)11/h5-6,8H,4,9H2,1-3H3,(H,10,11)
InChIKeyPFSHEJDVEPQUQX-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.08
Rot. Bonds4

About 4-amino-3,5-dimethylhexanoic acid

4-amino-3,5-dimethylhexanoic acid (PubChem CID 102537839) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-amino-3,5-dimethylhexanoic acid.

Molecular Properties

Compound Name4-amino-3,5-dimethylhexanoic acid
PubChem CID102537839
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-amino-3,5-dimethylhexanoic acid
SMILESCC(C)C(N)C(C)CC(=O)O
InChIInChI=1S/C8H17NO2/c1-5(2)8(9)6(3)4-7(10)11/h5-6,8H,4,9H2,1-3H3,(H,10,11)
InChIKeyPFSHEJDVEPQUQX-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3,5,5-trimethylhexanoic acid
CID 116938121
(2R,3S)-2-amino-3-methylpentanedioic acid
CID 6604760
(3R)-2-amino-3-methylpentanedioic acid
CID 90857110
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
3-amino-4,5,6-trimethylheptanoic acid
CID 11367460
hydrazine;3-methylbutanoic acid
CID 175217584
3,4-dimethyl-5-oxohexanoic acid
CID 13348293
azane;3,4-diaminopentanoic acid
CID 173404371
4-acetyl-3-methyl-5-oxohexanoic acid
CID 89387948
3-methylbutanoic acid
CID 20849036
3-amino-4,5-diethyl-6-methylheptanoic acid
CID 11321870
3-amino-4,6,6-trimethylheptanoic acid
CID 83907086

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dimethylhexanoic acid?
The IUPAC name of 4-amino-3,5-dimethylhexanoic acid (CID 102537839) is 4-amino-3,5-dimethylhexanoic acid.
What is the SMILES notation for 4-amino-3,5-dimethylhexanoic acid?
The canonical SMILES for 4-amino-3,5-dimethylhexanoic acid is CC(C)C(N)C(C)CC(=O)O.
What is the InChIKey of 4-amino-3,5-dimethylhexanoic acid?
The InChIKey is PFSHEJDVEPQUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5(2)8(9)6(3)4-7(10)11/h5-6,8H,4,9H2,1-3H3,(H,10,11).
What are the key properties of 4-amino-3,5-dimethylhexanoic acid?
4-amino-3,5-dimethylhexanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dimethylhexanoic acid is sourced from PubChem (CID 102537839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).