2-[bis(methylsulfonyl)amino]propanoic acid

C5H11NO6S2 — CID 87416674

IUPAC2-[bis(methylsulfonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C5H11NO6S2/c1-4(5(7)8)6(13(2,9)10)14(3,11)12/h4H,1-3H3,(H,7,8)
InChIKeyFKHFPNRIJSMYSA-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.32
Rot. Bonds4

About 2-[bis(methylsulfonyl)amino]propanoic acid

2-[bis(methylsulfonyl)amino]propanoic acid (PubChem CID 87416674) has the molecular formula C5H11NO6S2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[bis(methylsulfonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[bis(methylsulfonyl)amino]propanoic acid
PubChem CID87416674
Molecular FormulaC5H11NO6S2
Molecular Weight245.28 g/mol
Exact Mass245.00
IUPAC Name2-[bis(methylsulfonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C5H11NO6S2/c1-4(5(7)8)6(13(2,9)10)14(3,11)12/h4H,1-3H3,(H,7,8)
InChIKeyFKHFPNRIJSMYSA-UHFFFAOYSA-N
XLogP-1.32
TPSA108.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methanesulfonamidopropanoic acid
CID 13443844
N-(Methylsulfonyl)-L-alanine
CID 7446978
(R)-2-Amino-2-carboxyethylmethanethiosulfonate
CID 40418801
(2R)-2-[(Methylsulfonyl)amino]propanoic acid
CID 7446980
2-(Methanesulfonamido)butanoic acid
CID 24262889
(2S)-2-(methanesulfonamido)butanoic acid
CID 42255236
1-Carboxypropyl(methylsulfonyl)azanide;tungsten(2+)
CID 57848728
(2R)-2-(methanesulfonamido)-3-sulfanylpropanoic acid
CID 58386225
2-[Bis(methylsulfonyl)amino]butanoic acid;hydrochloride
CID 87416417
3-[Bis(methylsulfonyl)amino]propanoic acid
CID 87416675
[Bis(methylsulfonyl)amino]acetic acid
CID 90374472
2-[Methoxy(methylsulfonyl)amino]propanoic acid
CID 141109940

Frequently Asked Questions

What is the IUPAC name of 2-[bis(methylsulfonyl)amino]propanoic acid?
The IUPAC name of 2-[bis(methylsulfonyl)amino]propanoic acid (CID 87416674) is 2-[bis(methylsulfonyl)amino]propanoic acid.
What is the SMILES notation for 2-[bis(methylsulfonyl)amino]propanoic acid?
The canonical SMILES for 2-[bis(methylsulfonyl)amino]propanoic acid is CC(C(=O)O)N(S(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of 2-[bis(methylsulfonyl)amino]propanoic acid?
The InChIKey is FKHFPNRIJSMYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO6S2/c1-4(5(7)8)6(13(2,9)10)14(3,11)12/h4H,1-3H3,(H,7,8).
What are the key properties of 2-[bis(methylsulfonyl)amino]propanoic acid?
2-[bis(methylsulfonyl)amino]propanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(methylsulfonyl)amino]propanoic acid is sourced from PubChem (CID 87416674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).