2-methyl-2-[methyl(2-methylsulfonylpropanoyl)amino]propanoic acid

C9H17NO5S — CID 115730595

IUPAC2-methyl-2-[methyl(2-methylsulfonylpropanoyl)amino]propanoic acid
SMILESCC(C(=O)N(C)C(C)(C)C(=O)O)S(C)(=O)=O
InChIInChI=1S/C9H17NO5S/c1-6(16(5,14)15)7(11)10(4)9(2,3)8(12)13/h6H,1-5H3,(H,12,13)
InChIKeyQWPOIVIJYCKCTH-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.26
Rot. Bonds4

About 2-methyl-2-[methyl(2-methylsulfonylpropanoyl)amino]propanoic acid

2-methyl-2-[methyl(2-methylsulfonylpropanoyl)amino]propanoic acid (PubChem CID 115730595) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-methyl-2-[methyl(2-methylsulfonylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl(2-methylsulfonylpropanoyl)amino]propanoic acid
PubChem CID115730595
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Name2-methyl-2-[methyl(2-methylsulfonylpropanoyl)amino]propanoic acid
SMILESCC(C(=O)N(C)C(C)(C)C(=O)O)S(C)(=O)=O
InChIInChI=1S/C9H17NO5S/c1-6(16(5,14)15)7(11)10(4)9(2,3)8(12)13/h6H,1-5H3,(H,12,13)
InChIKeyQWPOIVIJYCKCTH-UHFFFAOYSA-N
XLogP-0.26
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid
CID 78917580
2-[2-(2,2-dimethylpropanoylamino)propanoyl-methylamino]-2-methylpropanoic acid
CID 62818844
2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-2-methylpropanoic acid
CID 62818134
4-[methyl(2-methylsulfonylpropanoyl)amino]benzoic acid
CID 104697933
2-[2-(aminomethyl)butanoyl-methylamino]-2-methylpropanoic acid
CID 65228639
2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid
CID 119200404
2-methyl-2-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 119200841
2-methyl-2-[methyl-[methyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 62821986
2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid
CID 115730555
N,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115772414
2-[(2-amino-2-methylpropanoyl)-methylamino]-2-methylpropanoic acid
CID 62819720
N,N-bis(2-chloroethyl)-2-methylsulfonylpropanamide
CID 104520204

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(2-methylsulfonylpropanoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl(2-methylsulfonylpropanoyl)amino]propanoic acid (CID 115730595) is 2-methyl-2-[methyl(2-methylsulfonylpropanoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl(2-methylsulfonylpropanoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl(2-methylsulfonylpropanoyl)amino]propanoic acid is CC(C(=O)N(C)C(C)(C)C(=O)O)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-[methyl(2-methylsulfonylpropanoyl)amino]propanoic acid?
The InChIKey is QWPOIVIJYCKCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-6(16(5,14)15)7(11)10(4)9(2,3)8(12)13/h6H,1-5H3,(H,12,13).
What are the key properties of 2-methyl-2-[methyl(2-methylsulfonylpropanoyl)amino]propanoic acid?
2-methyl-2-[methyl(2-methylsulfonylpropanoyl)amino]propanoic acid has a molecular weight of 251.30 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(2-methylsulfonylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 115730595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).