2-[methyl(propan-2-ylsulfonyl)amino]propanoic acid

C7H15NO4S — CID 62637730

IUPAC2-[methyl(propan-2-ylsulfonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)S(=O)(=O)C(C)C
InChIInChI=1S/C7H15NO4S/c1-5(2)13(11,12)8(4)6(3)7(9)10/h5-6H,1-4H3,(H,9,10)
InChIKeyBMTPCTIGEFDENJ-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.13
Rot. Bonds4

About 2-[methyl(propan-2-ylsulfonyl)amino]propanoic acid

2-[methyl(propan-2-ylsulfonyl)amino]propanoic acid (PubChem CID 62637730) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-[methyl(propan-2-ylsulfonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(propan-2-ylsulfonyl)amino]propanoic acid
PubChem CID62637730
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name2-[methyl(propan-2-ylsulfonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)S(=O)(=O)C(C)C
InChIInChI=1S/C7H15NO4S/c1-5(2)13(11,12)8(4)6(3)7(9)10/h5-6H,1-4H3,(H,9,10)
InChIKeyBMTPCTIGEFDENJ-UHFFFAOYSA-N
XLogP0.13
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-ylsulfonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(propan-2-ylsulfonyl)amino]propanoic acid (CID 62637730) is 2-[methyl(propan-2-ylsulfonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(propan-2-ylsulfonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(propan-2-ylsulfonyl)amino]propanoic acid is CC(C(=O)O)N(C)S(=O)(=O)C(C)C.
What is the InChIKey of 2-[methyl(propan-2-ylsulfonyl)amino]propanoic acid?
The InChIKey is BMTPCTIGEFDENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-5(2)13(11,12)8(4)6(3)7(9)10/h5-6H,1-4H3,(H,9,10).
What are the key properties of 2-[methyl(propan-2-ylsulfonyl)amino]propanoic acid?
2-[methyl(propan-2-ylsulfonyl)amino]propanoic acid has a molecular weight of 209.27 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-ylsulfonyl)amino]propanoic acid is sourced from PubChem (CID 62637730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).