6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoic acid

C11H23N3O3S — CID 18218229

IUPAC6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoic acid
SMILESCSCCC(N)C(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C11H23N3O3S/c1-18-7-5-8(13)10(15)14-9(11(16)17)4-2-3-6-12/h8-9H,2-7,12-13H2,1H3,(H,14,15)(H,16,17)
InChIKeyIMTUWVJPCQPJEE-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.23
Rot. Bonds10

About 6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoic acid

6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoic acid (PubChem CID 18218229) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoic acid
PubChem CID18218229
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoic acid
SMILESCSCCC(N)C(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C11H23N3O3S/c1-18-7-5-8(13)10(15)14-9(11(16)17)4-2-3-6-12/h8-9H,2-7,12-13H2,1H3,(H,14,15)(H,16,17)
InChIKeyIMTUWVJPCQPJEE-UHFFFAOYSA-N
XLogP-0.23
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-Acetyl-L-Lysine
CID 92907
L-gamma-Glutamyl-S-hexyl-L-cysteinylglycine
CID 97536
S-Methylglutathione
CID 115260
Methionylmethionine
CID 104294
delta-(L-alpha-Aminoadipoyl)-L-cysteinyl-glycine
CID 4369448
N-((5S)-5-amino-5-carboxypentanoyl)-L-cysteinyl-D-valine
CID 448130
Dilysine
CID 128837
N-acetylcysteine lysinate
CID 9883132
Glycylmethionine, DL-
CID 96757
Ala-Lys
CID 7016106
Lys-Cys-Lys
CID 444413
Lys-Met-Lys
CID 444441

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoic acid?
The IUPAC name of 6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoic acid (CID 18218229) is 6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoic acid.
What is the SMILES notation for 6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoic acid?
The canonical SMILES for 6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoic acid is CSCCC(N)C(=O)NC(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoic acid?
The InChIKey is IMTUWVJPCQPJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-18-7-5-8(13)10(15)14-9(11(16)17)4-2-3-6-12/h8-9H,2-7,12-13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoic acid?
6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoic acid has a molecular weight of 277.39 g/mol, XLogP of -0.23, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoic acid is sourced from PubChem (CID 18218229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).