Cas no 139644-71-6 (2-Pyrrolidinemethanesulfonic acid)
139644-71-6 structure
Product Name:2-Pyrrolidinemethanesulfonic acid
CAS No:139644-71-6
MF:C5H11NO3S
MW:165.210740327835
CID:96639
PubChem ID:4288291
Update Time:2025-04-18
2-Pyrrolidinemethanesulfonic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrrolidinemethanesulfonic acid
- pyrrolidin-2-ylmethanesulfonic acid
- 2-Pyrrolidinylmethanesulfonic acid
- CFA07547
- DTXSID00401598
- FT-0648364
- SB45746
- 139644-71-6
- (S)-2-Pyrrolidinemethanesulfonic acid
- JYFHRLOWRFUNPU-UHFFFAOYSA-N
- SCHEMBL496698
-
- Inchi： 1S/C5H11NO3S/c7-10(8,9)4-5-2-1-3-6-5/h5-6H,1-4H2,(H,7,8,9)
- InChI Key： JYFHRLOWRFUNPU-UHFFFAOYSA-N
- SMILES： S(CC1CCCN1)(=O)(=O)O
Computed Properties
- Exact Mass: 165.04603
- Monoisotopic Mass: 165.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 193
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 74.8A^2
- XLogP3: -3
Experimental Properties
- PSA: 66.4
2-Pyrrolidinemethanesulfonic acid Related Literature
-
1. Conformational behaviour of peptides containing a 2-pyrrolidinemethanesulfonic acid (2PyMS) residueOleksandr O. Grygorenko,Sergey Zhersh,Bohdan V. Oliinyk,Oleg V. Shishkin,Andrey A. Tolmachev Org. Biomol. Chem. 2013 11 975
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