(3S,5R)-3-amino-2,5,8-trimethylnonanoic acid

C12H25NO2 — CID 150609396

IUPAC(3S,5R)-3-amino-2,5,8-trimethylnonanoic acid
SMILESCC(C)CC[C@@H](C)C[C@H](N)C(C)C(=O)O
InChIInChI=1S/C12H25NO2/c1-8(2)5-6-9(3)7-11(13)10(4)12(14)15/h8-11H,5-7,13H2,1-4H3,(H,14,15)/t9-,10?,11+/m1/s1
InChIKeyITOGRFGFGVKOEC-FBKFWFMHSA-N
MW215.34 g/mol
LogP2.50
Rot. Bonds7

About (3S,5R)-3-amino-2,5,8-trimethylnonanoic acid

(3S,5R)-3-amino-2,5,8-trimethylnonanoic acid (PubChem CID 150609396) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (3S,5R)-3-amino-2,5,8-trimethylnonanoic acid.

Molecular Properties

Compound Name(3S,5R)-3-amino-2,5,8-trimethylnonanoic acid
PubChem CID150609396
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(3S,5R)-3-amino-2,5,8-trimethylnonanoic acid
SMILESCC(C)CC[C@@H](C)C[C@H](N)C(C)C(=O)O
InChIInChI=1S/C12H25NO2/c1-8(2)5-6-9(3)7-11(13)10(4)12(14)15/h8-11H,5-7,13H2,1-4H3,(H,14,15)/t9-,10?,11+/m1/s1
InChIKeyITOGRFGFGVKOEC-FBKFWFMHSA-N
XLogP2.50
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-3-amino-7-(4-fluorophenyl)-2,5-dimethylheptanoic acid
CID 150576041
3-amino-7-(2-fluorophenyl)-2,5-dimethylheptanoic acid
CID 151795763
(2R)-2-amino-5-methylhexanoic acid
CID 40537121
(2S)-2-amino-5-methylhexanoic acid;hydrate
CID 141394996
(3S,5S)-3-amino-6-(2-chlorophenyl)-2,5-dimethylhexanoic acid
CID 151733569
3-amino-6-(2-chlorophenyl)-2,5-dimethylhexanoic acid
CID 151733570
(3S,5R)-5-amino-3,8-dimethylnonanoic acid
CID 125425710
(2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid
CID 154251758
3-amino-6-tert-butyl-2-methylheptanedioic acid
CID 87854459
(3S)-5-acetamido-3-amino-2-methylpentanoic acid
CID 174276876
(2S)-2-amino-3,5-dimethylhexanoic acid
CID 130519483
3-amino-2-methyl-4-sulfobutanoic acid
CID 21141328

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-amino-2,5,8-trimethylnonanoic acid?
The IUPAC name of (3S,5R)-3-amino-2,5,8-trimethylnonanoic acid (CID 150609396) is (3S,5R)-3-amino-2,5,8-trimethylnonanoic acid.
What is the SMILES notation for (3S,5R)-3-amino-2,5,8-trimethylnonanoic acid?
The canonical SMILES for (3S,5R)-3-amino-2,5,8-trimethylnonanoic acid is CC(C)CC[C@@H](C)C[C@H](N)C(C)C(=O)O.
What is the InChIKey of (3S,5R)-3-amino-2,5,8-trimethylnonanoic acid?
The InChIKey is ITOGRFGFGVKOEC-FBKFWFMHSA-N. The full InChI is InChI=1S/C12H25NO2/c1-8(2)5-6-9(3)7-11(13)10(4)12(14)15/h8-11H,5-7,13H2,1-4H3,(H,14,15)/t9-,10?,11+/m1/s1.
What are the key properties of (3S,5R)-3-amino-2,5,8-trimethylnonanoic acid?
(3S,5R)-3-amino-2,5,8-trimethylnonanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-amino-2,5,8-trimethylnonanoic acid is sourced from PubChem (CID 150609396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).