(2R)-2-amino-3,5,5-trimethylhexanoic acid

C9H19NO2 — CID 175049210

IUPAC(2R)-2-amino-3,5,5-trimethylhexanoic acid
SMILESCC(CC(C)(C)C)[C@@H](N)C(=O)O
InChIInChI=1S/C9H19NO2/c1-6(5-9(2,3)4)7(10)8(11)12/h6-7H,5,10H2,1-4H3,(H,11,12)/t6?,7-/m1/s1
InChIKeyVYEVXQPRERBONE-COBSHVIPSA-N
MW173.26 g/mol
LogP1.47
Rot. Bonds3

About (2R)-2-amino-3,5,5-trimethylhexanoic acid

(2R)-2-amino-3,5,5-trimethylhexanoic acid (PubChem CID 175049210) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2R)-2-amino-3,5,5-trimethylhexanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3,5,5-trimethylhexanoic acid
PubChem CID175049210
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2R)-2-amino-3,5,5-trimethylhexanoic acid
SMILESCC(CC(C)(C)C)[C@@H](N)C(=O)O
InChIInChI=1S/C9H19NO2/c1-6(5-9(2,3)4)7(10)8(11)12/h6-7H,5,10H2,1-4H3,(H,11,12)/t6?,7-/m1/s1
InChIKeyVYEVXQPRERBONE-COBSHVIPSA-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

2,3-bis(4,4-dimethylpentan-2-yl)butanedioic acid
CID 151564398
3-amino-4,6,6-trimethylheptanoic acid
CID 83907086
2-amino-3,5,5-trimethyl-6-(phosphanylamino)hexanoic acid
CID 137466268
2-hydroxy-3,5,5-trimethylhexanoic acid
CID 83906054
2-amino-4,4-dimethylpentanoic acid;chloromethane
CID 175588190
(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
(2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid
CID 57426035
(3R)-2-amino-3-methylpentanedioic acid
CID 90857110
(2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride
CID 88817643
(2S)-2-amino-3,5-dimethylhexanoic acid
CID 130519483

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,5,5-trimethylhexanoic acid?
The IUPAC name of (2R)-2-amino-3,5,5-trimethylhexanoic acid (CID 175049210) is (2R)-2-amino-3,5,5-trimethylhexanoic acid.
What is the SMILES notation for (2R)-2-amino-3,5,5-trimethylhexanoic acid?
The canonical SMILES for (2R)-2-amino-3,5,5-trimethylhexanoic acid is CC(CC(C)(C)C)[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3,5,5-trimethylhexanoic acid?
The InChIKey is VYEVXQPRERBONE-COBSHVIPSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(5-9(2,3)4)7(10)8(11)12/h6-7H,5,10H2,1-4H3,(H,11,12)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-amino-3,5,5-trimethylhexanoic acid?
(2R)-2-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 (2R)-2-amino-3,5,5-trimethylhexanoic acid is sourced from PubChem (CID 175049210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).