Cas no 259874-14-1 (Butanoic acid,2-[(methoxycarbonyl)amino]-, (2S)-)
259874-14-1 structure
Product Name:Butanoic acid,2-[(methoxycarbonyl)amino]-, (2S)-
CAS No:259874-14-1
MF:C6H11NO4
MW:161.155842065811
CID:247243
PubChem ID:10012186
Update Time:2025-04-19
Butanoic acid,2-[(methoxycarbonyl)amino]-, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-[(methoxycarbonyl)amino]-, (2S)-
- (S)-2-(methoxycarbonylamino)butanoic acid
- (S)-2-((Methoxycarbonyl)amino)butanoic acid
- (2S)-2-(methoxycarbonylamino)butanoic Acid
- CS-0134022
- 259874-14-1
- SCHEMBL193659
- (2S)-2-[(Methoxycarbonyl)amino]butanoic acid
- OHRXVUZLLZTQMX-BYPYZUCNSA-N
- AKOS017413512
-
- Inchi: 1S/C6H11NO4/c1-3-4(5(8)9)7-6(10)11-2/h4H,3H2,1-2H3,(H,7,10)(H,8,9)/t4-/m0/s1
- InChI Key: OHRXVUZLLZTQMX-BYPYZUCNSA-N
- SMILES: OC([C@H](CC)NC(=O)OC)=O
Computed Properties
- Exact Mass: 161.06880783g/mol
- Monoisotopic Mass: 161.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 157
- 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: 0.5
- Topological Polar Surface Area: 75.6?2
Experimental Properties
- PSA: 75.63000
- LogP: 0.59650
Butanoic acid,2-[(methoxycarbonyl)amino]-, (2S)- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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