2-amino-N-[(2R)-6-amino-1-oxohexan-2-yl]-N-methylsulfonylbutanamide

C11H23N3O4S — CID 173062493

IUPAC2-amino-N-[(2R)-6-amino-1-oxohexan-2-yl]-N-methylsulfonylbutanamide
SMILESCCC(N)C(=O)N([C@@H](C=O)CCCCN)S(C)(=O)=O
InChIInChI=1S/C11H23N3O4S/c1-3-10(13)11(16)14(19(2,17)18)9(8-15)6-4-5-7-12/h8-10H,3-7,12-13H2,1-2H3/t9-,10?/m1/s1
InChIKeyRVNYIJRKIAAYNP-YHMJZVADSA-N
MW293.39 g/mol
LogP-0.79
Rot. Bonds9

About 2-amino-N-[(2R)-6-amino-1-oxohexan-2-yl]-N-methylsulfonylbutanamide

2-amino-N-[(2R)-6-amino-1-oxohexan-2-yl]-N-methylsulfonylbutanamide (PubChem CID 173062493) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-amino-N-[(2R)-6-amino-1-oxohexan-2-yl]-N-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(2R)-6-amino-1-oxohexan-2-yl]-N-methylsulfonylbutanamide
PubChem CID173062493
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Name2-amino-N-[(2R)-6-amino-1-oxohexan-2-yl]-N-methylsulfonylbutanamide
SMILESCCC(N)C(=O)N([C@@H](C=O)CCCCN)S(C)(=O)=O
InChIInChI=1S/C11H23N3O4S/c1-3-10(13)11(16)14(19(2,17)18)9(8-15)6-4-5-7-12/h8-10H,3-7,12-13H2,1-2H3/t9-,10?/m1/s1
InChIKeyRVNYIJRKIAAYNP-YHMJZVADSA-N
XLogP-0.79
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-6-amino-1-oxohexan-2-yl]-N-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[(2R)-6-amino-1-oxohexan-2-yl]-N-methylsulfonylbutanamide (CID 173062493) is 2-amino-N-[(2R)-6-amino-1-oxohexan-2-yl]-N-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[(2R)-6-amino-1-oxohexan-2-yl]-N-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[(2R)-6-amino-1-oxohexan-2-yl]-N-methylsulfonylbutanamide is CCC(N)C(=O)N([C@@H](C=O)CCCCN)S(C)(=O)=O.
What is the InChIKey of 2-amino-N-[(2R)-6-amino-1-oxohexan-2-yl]-N-methylsulfonylbutanamide?
The InChIKey is RVNYIJRKIAAYNP-YHMJZVADSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-3-10(13)11(16)14(19(2,17)18)9(8-15)6-4-5-7-12/h8-10H,3-7,12-13H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of 2-amino-N-[(2R)-6-amino-1-oxohexan-2-yl]-N-methylsulfonylbutanamide?
2-amino-N-[(2R)-6-amino-1-oxohexan-2-yl]-N-methylsulfonylbutanamide has a molecular weight of 293.39 g/mol, XLogP of -0.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R)-6-amino-1-oxohexan-2-yl]-N-methylsulfonylbutanamide is sourced from PubChem (CID 173062493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).