(2R)-2-[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]propanoic acid

C10H20N2O5S — CID 120526882

IUPAC(2R)-2-[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)C(NS(C)(=O)=O)C(C)(C)C)C(=O)O
InChIInChI=1S/C10H20N2O5S/c1-6(9(14)15)11-8(13)7(10(2,3)4)12-18(5,16)17/h6-7,12H,1-5H3,(H,11,13)(H,14,15)/t6-,7?/m1/s1
InChIKeyYZHAJAWGMYXHDR-ULUSZKPHSA-N
MW280.35 g/mol
LogP-0.46
Rot. Bonds5

About (2R)-2-[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]propanoic acid

(2R)-2-[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]propanoic acid (PubChem CID 120526882) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is (2R)-2-[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]propanoic acid
PubChem CID120526882
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name(2R)-2-[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)C(NS(C)(=O)=O)C(C)(C)C)C(=O)O
InChIInChI=1S/C10H20N2O5S/c1-6(9(14)15)11-8(13)7(10(2,3)4)12-18(5,16)17/h6-7,12H,1-5H3,(H,11,13)(H,14,15)/t6-,7?/m1/s1
InChIKeyYZHAJAWGMYXHDR-ULUSZKPHSA-N
XLogP-0.46
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methanesulfonamido)propanoylamino]propanoic acid
CID 119348984
2-(2-methylsulfonylpropanoylamino)propanoic acid
CID 115731150
(2S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methanesulfonamido)-3,3-dimethylbutanamide
CID 124592558
(2S)-N-cyclopentyl-2-(methanesulfonamido)-3,3-dimethylbutanamide
CID 97069973
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid
CID 162671473
2-[[2-[(2-ethanimidoyl-3-iminobutanoyl)amino]-3,3-dimethylbutanoyl]amino]propanoic acid
CID 123935266
2-[(2,3-dihydroxy-3-methylbutanoyl)amino]propanoic acid
CID 87703866
(2R)-2-[[(2S)-2-(tert-butylamino)propanoyl]amino]propanoic acid
CID 130454125
(2S)-2-(2-propan-2-ylsulfonylpropanoylamino)propanoic acid
CID 103791061
ethyl (2S)-2-(methanesulfonamido)-3,3-dimethylbutanoate
CID 15321974
4-[[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]methyl]benzoic acid
CID 120512065
(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
CID 61143223

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]propanoic acid (CID 120526882) is (2R)-2-[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]propanoic acid is C[C@@H](NC(=O)C(NS(C)(=O)=O)C(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]propanoic acid?
The InChIKey is YZHAJAWGMYXHDR-ULUSZKPHSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-6(9(14)15)11-8(13)7(10(2,3)4)12-18(5,16)17/h6-7,12H,1-5H3,(H,11,13)(H,14,15)/t6-,7?/m1/s1.
What are the key properties of (2R)-2-[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]propanoic acid?
(2R)-2-[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]propanoic acid has a molecular weight of 280.35 g/mol, XLogP of -0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]propanoic acid is sourced from PubChem (CID 120526882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).