2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-methylamino]propanoic acid

C10H21N3O5S — CID 55257892

IUPAC2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C10H21N3O5S/c1-7(8(14)15)13(4)9(16)11-6-10(2,3)12-19(5,17)18/h7,12H,6H2,1-5H3,(H,11,16)(H,14,15)
InChIKeyLRKXDKHOYLDAHA-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.57
Rot. Bonds6

About 2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-methylamino]propanoic acid

2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-methylamino]propanoic acid (PubChem CID 55257892) has the molecular formula C10H21N3O5S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-methylamino]propanoic acid
PubChem CID55257892
Molecular FormulaC10H21N3O5S
Molecular Weight295.36 g/mol
Exact Mass295.12
IUPAC Name2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C10H21N3O5S/c1-7(8(14)15)13(4)9(16)11-6-10(2,3)12-19(5,17)18/h7,12H,6H2,1-5H3,(H,11,16)(H,14,15)
InChIKeyLRKXDKHOYLDAHA-UHFFFAOYSA-N
XLogP-0.57
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-methylamino]propanoic acid (CID 55257892) is 2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)NCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of 2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-methylamino]propanoic acid?
The InChIKey is LRKXDKHOYLDAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O5S/c1-7(8(14)15)13(4)9(16)11-6-10(2,3)12-19(5,17)18/h7,12H,6H2,1-5H3,(H,11,16)(H,14,15).
What are the key properties of 2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-methylamino]propanoic acid?
2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-methylamino]propanoic acid has a molecular weight of 295.36 g/mol, XLogP of -0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 55257892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).