(2S)-2-amino-3,5-dimethylhexanoic acid

C8H17NO2 — CID 130519483

IUPAC(2S)-2-amino-3,5-dimethylhexanoic acid
SMILESCC(C)CC(C)[C@H](N)C(=O)O
InChIInChI=1S/C8H17NO2/c1-5(2)4-6(3)7(9)8(10)11/h5-7H,4,9H2,1-3H3,(H,10,11)/t6?,7-/m0/s1
InChIKeyODXUKGZVQGQZIV-MLWJPKLSSA-N
MW159.23 g/mol
LogP1.08
Rot. Bonds4

About (2S)-2-amino-3,5-dimethylhexanoic acid

(2S)-2-amino-3,5-dimethylhexanoic acid (PubChem CID 130519483) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S)-2-amino-3,5-dimethylhexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3,5-dimethylhexanoic acid
PubChem CID130519483
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2S)-2-amino-3,5-dimethylhexanoic acid
SMILESCC(C)CC(C)[C@H](N)C(=O)O
InChIInChI=1S/C8H17NO2/c1-5(2)4-6(3)7(9)8(10)11/h5-7H,4,9H2,1-3H3,(H,10,11)/t6?,7-/m0/s1
InChIKeyODXUKGZVQGQZIV-MLWJPKLSSA-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

(5R)-2-amino-3-methyl-5-sulfanylhexanoic acid
CID 88951823
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
(3R)-2-amino-3-methylpentanedioic acid
CID 90857110
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
2-amino-3-methylpentanoic acid;manganese
CID 175109832
(2R,3S)-2-amino-3-methylpentanedioic acid
CID 6604760
2-amino-3-methylpentanoic acid;azane
CID 87185080
(2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride
CID 88817643
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;bis(2-amino-4-methylpentanoic acid)
CID 175377800

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,5-dimethylhexanoic acid?
The IUPAC name of (2S)-2-amino-3,5-dimethylhexanoic acid (CID 130519483) is (2S)-2-amino-3,5-dimethylhexanoic acid.
What is the SMILES notation for (2S)-2-amino-3,5-dimethylhexanoic acid?
The canonical SMILES for (2S)-2-amino-3,5-dimethylhexanoic acid is CC(C)CC(C)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3,5-dimethylhexanoic acid?
The InChIKey is ODXUKGZVQGQZIV-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5(2)4-6(3)7(9)8(10)11/h5-7H,4,9H2,1-3H3,(H,10,11)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-amino-3,5-dimethylhexanoic acid?
(2S)-2-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 (2S)-2-amino-3,5-dimethylhexanoic acid is sourced from PubChem (CID 130519483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).