Cas no 62234-29-1 (Butanoic acid, 4-amino-2-[[(4-methylphenyl)sulfonyl]amino]-, (S)-)
![Butanoic acid, 4-amino-2-[[(4-methylphenyl)sulfonyl]amino]-, (S)- structure](https://ossimg.kuujia.com/scimg/62500/62234-29-1x500.png)
62234-29-1 structure
Product Name:Butanoic acid, 4-amino-2-[[(4-methylphenyl)sulfonyl]amino]-, (S)-
CAS No:62234-29-1
MF:C11H16N2O4S
MW:272.320741653442
CID:453232
PubChem ID:71388491
Update Time:2025-04-19
Butanoic acid, 4-amino-2-[[(4-methylphenyl)sulfonyl]amino]-, (S)- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 4-amino-2-[[(4-methylphenyl)sulfonyl]amino]-, (S)-
- (2S)-4-amino-2-[(4-methylphenyl)sulfonylamino]butanoic acid
- (2S)-4-Amino-2-[(4-methylbenzene-1-sulfonyl)amino]butanoic acid
- 62234-29-1
- DTXSID10810556
-
- Inchi： 1S/C11H16N2O4S/c1-8-2-4-9(5-3-8)18(16,17)13-10(6-7-12)11(14)15/h2-5,10,13H,6-7,12H2,1H3,(H,14,15)/t10-/m0/s1
- InChI Key： OGYOERZDHBBZRA-JTQLQIEISA-N
- SMILES： S(C1C=CC(C)=CC=1)(N[C@H](C(=O)O)CCN)(=O)=O
Computed Properties
- Exact Mass: 272.08318
- Monoisotopic Mass: 272.08307817g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 369
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2
- Topological Polar Surface Area: 118?2
Experimental Properties
- PSA: 109.49
Butanoic acid, 4-amino-2-[[(4-methylphenyl)sulfonyl]amino]-, (S)- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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