Cas no 125511-26-4 (Alanine, propyl ester)
Alanine, propyl ester structure
Product Name:Alanine, propyl ester
CAS No:125511-26-4
MF:C6H13NO2
MW:131.172921895981
CID:103544
PubChem ID:13742989
Update Time:2025-04-18
Alanine, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Alanine, propyl ester
- Alanine, propyl ester (9CI)
- 125511-26-4
- SCHEMBL197006
- PROPYL 2-AMINOPROPANOATE
-
- Inchi： 1S/C6H13NO2/c1-3-4-9-6(8)5(2)7/h5H,3-4,7H2,1-2H3
- InChI Key： GSMUZACKUHJQDP-UHFFFAOYSA-N
- SMILES： O(C(C(C)N)=O)CCC
Computed Properties
- Exact Mass: 131.09469
- Monoisotopic Mass: 131.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 26
- Rotatable Bond Count: 2
- Complexity: 634
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 52.32
Alanine, propyl ester Related Literature
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Jelena Rupar,Vladimir Dobri?i?,Jelena Grahovac,Sini?a Radulovi?,?iga Skok,Janez Ila?,Mara Aleksi?,Jasmina Brbori?,Olivera ?udina RSC Med. Chem. 2020 11 378
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Muhammad Moniruzzaman,Noriho Kamiya,Masahiro Goto Org. Biomol. Chem. 2010 8 2887
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