2-[2-(methanesulfonamido)propanoylamino]propanoic acid

C7H14N2O5S — CID 119348984

IUPAC2-[2-(methanesulfonamido)propanoylamino]propanoic acid
SMILESCC(NC(=O)C(C)NS(C)(=O)=O)C(=O)O
InChIInChI=1S/C7H14N2O5S/c1-4(9-15(3,13)14)6(10)8-5(2)7(11)12/h4-5,9H,1-3H3,(H,8,10)(H,11,12)
InChIKeyYLIIXYMIYAFUSK-UHFFFAOYSA-N
MW238.26 g/mol
LogP-1.49
Rot. Bonds5

About 2-[2-(methanesulfonamido)propanoylamino]propanoic acid

2-[2-(methanesulfonamido)propanoylamino]propanoic acid (PubChem CID 119348984) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)propanoylamino]propanoic acid
PubChem CID119348984
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name2-[2-(methanesulfonamido)propanoylamino]propanoic acid
SMILESCC(NC(=O)C(C)NS(C)(=O)=O)C(=O)O
InChIInChI=1S/C7H14N2O5S/c1-4(9-15(3,13)14)6(10)8-5(2)7(11)12/h4-5,9H,1-3H3,(H,8,10)(H,11,12)
InChIKeyYLIIXYMIYAFUSK-UHFFFAOYSA-N
XLogP-1.49
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 92840389
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
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(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 16758239
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
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(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(15N)azanyl(1,2,3-13C3)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 132503633
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CID 4079599

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)propanoylamino]propanoic acid?
The IUPAC name of 2-[2-(methanesulfonamido)propanoylamino]propanoic acid (CID 119348984) is 2-[2-(methanesulfonamido)propanoylamino]propanoic acid.
What is the SMILES notation for 2-[2-(methanesulfonamido)propanoylamino]propanoic acid?
The canonical SMILES for 2-[2-(methanesulfonamido)propanoylamino]propanoic acid is CC(NC(=O)C(C)NS(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-[2-(methanesulfonamido)propanoylamino]propanoic acid?
The InChIKey is YLIIXYMIYAFUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S/c1-4(9-15(3,13)14)6(10)8-5(2)7(11)12/h4-5,9H,1-3H3,(H,8,10)(H,11,12).
What are the key properties of 2-[2-(methanesulfonamido)propanoylamino]propanoic acid?
2-[2-(methanesulfonamido)propanoylamino]propanoic acid has a molecular weight of 238.26 g/mol, XLogP of -1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)propanoylamino]propanoic acid is sourced from PubChem (CID 119348984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).