Cas no 850312-86-6 (methyl N-(tert-butoxycarbonyl)-D-valyl-glycinate)
850312-86-6 structure
Product Name:methyl N-(tert-butoxycarbonyl)-D-valyl-glycinate
CAS No:850312-86-6
MF:C13H24N2O5
MW:288.340064048767
CID:2858169
PubChem ID:11346754
Update Time:2025-04-21
methyl N-(tert-butoxycarbonyl)-D-valyl-glycinate Chemical and Physical Properties
Names and Identifiers
-
- methyl N-(tert-butoxycarbonyl)-D-valyl-glycinate
- methyl N-(tert-butoxycarbonyl)-D-valylglycinate;((R)-2-tert-butoxycarbonylamino-3-methylbutyrylamino)-acetic acid methyl ester;Boc-D-Val-Gly-OMe;
- 850312-86-6
- MFCD35146439
- (R)-Methyl 2-(2-((t-butoxycarbonyl)amino)-3-methylbutanamido)acetate
- (R)-METHYL 2-(2-((TERT-BUTOXYCARBONYL)AMINO)-3-METHYLBUTANAMIDO)ACETATE
- E83223
-
- Inchi： 1S/C13H24N2O5/c1-8(2)10(11(17)14-7-9(16)19-6)15-12(18)20-13(3,4)5/h8,10H,7H2,1-6H3,(H,14,17)(H,15,18)/t10-/m1/s1
- InChI Key： ANHLFUWXEKATOI-SNVBAGLBSA-N
- SMILES： O(C(N[C@@H](C(NCC(=O)OC)=O)C(C)C)=O)C(C)(C)C
Computed Properties
- Exact Mass: 288.16900
- Monoisotopic Mass: 288.16852187Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 8
- Complexity: 360
- 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: 1.6
- Topological Polar Surface Area: 93.7?2
Experimental Properties
- PSA: 93.73000
- LogP: 1.60670
methyl N-(tert-butoxycarbonyl)-D-valyl-glycinate Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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