2-amino-2-(2-methylsulfanylethyl)hexanoic acid

C9H19NO2S — CID 144733112

IUPAC2-amino-2-(2-methylsulfanylethyl)hexanoic acid
SMILESCCCCC(N)(CCSC)C(=O)O
InChIInChI=1S/C9H19NO2S/c1-3-4-5-9(10,8(11)12)6-7-13-2/h3-7,10H2,1-2H3,(H,11,12)
InChIKeyMWYPCYUMJPHRCR-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.71
Rot. Bonds7

About 2-amino-2-(2-methylsulfanylethyl)hexanoic acid

2-amino-2-(2-methylsulfanylethyl)hexanoic acid (PubChem CID 144733112) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-amino-2-(2-methylsulfanylethyl)hexanoic acid.

Molecular Properties

Compound Name2-amino-2-(2-methylsulfanylethyl)hexanoic acid
PubChem CID144733112
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-amino-2-(2-methylsulfanylethyl)hexanoic acid
SMILESCCCCC(N)(CCSC)C(=O)O
InChIInChI=1S/C9H19NO2S/c1-3-4-5-9(10,8(11)12)6-7-13-2/h3-7,10H2,1-2H3,(H,11,12)
InChIKeyMWYPCYUMJPHRCR-UHFFFAOYSA-N
XLogP1.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-2-methyl-4-methylsulfanyl-pentanoic acid
CID 44293666
3-Amino-2-(3-boronopropyl)tetrahydrothiophene-3-carboxylic acid
CID 67512886
2-Amino-2-ethylhexanoic acid
CID 413012
(2r,4r)-Dodecylcysteine
CID 22056924
trans-(1R,2R)-1-amino-2-methylsulfanylcyclohexane-1-carboxylic acid
CID 154707137
2-(2-Amino-2-oxoethyl)sulfanyl-2-ethylhexanoic acid
CID 257330
(2R)-2-Amino-2-ethylhexanoic acid
CID 10261364
2-Amino-5-ethylsulfanyl-3,5-dimethylhexanoic acid
CID 12467728
(2S)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]hexanoic acid
CID 20639633
(2S)-2-amino-2-methylhexanoic acid;(2S)-2-amino-2-methyl-4-methylsulfanylbutanoic acid
CID 20640243
2-Amino-2-[2-(butylsulfonimidoyl)ethyl]hexanoic acid
CID 21263480
2-Amino-2-(2-methylsulfanylethyl)pentanoic acid
CID 22102457

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-methylsulfanylethyl)hexanoic acid?
The IUPAC name of 2-amino-2-(2-methylsulfanylethyl)hexanoic acid (CID 144733112) is 2-amino-2-(2-methylsulfanylethyl)hexanoic acid.
What is the SMILES notation for 2-amino-2-(2-methylsulfanylethyl)hexanoic acid?
The canonical SMILES for 2-amino-2-(2-methylsulfanylethyl)hexanoic acid is CCCCC(N)(CCSC)C(=O)O.
What is the InChIKey of 2-amino-2-(2-methylsulfanylethyl)hexanoic acid?
The InChIKey is MWYPCYUMJPHRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-3-4-5-9(10,8(11)12)6-7-13-2/h3-7,10H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-2-(2-methylsulfanylethyl)hexanoic acid?
2-amino-2-(2-methylsulfanylethyl)hexanoic acid has a molecular weight of 205.32 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-methylsulfanylethyl)hexanoic acid is sourced from PubChem (CID 144733112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).