Cas no 52977-72-7 (N,N-Bis(carboxymethyl)-L-valine)
52977-72-7 structure
Product Name:N,N-Bis(carboxymethyl)-L-valine
CAS No:52977-72-7
MF:C9H15NO6
MW:233.218503236771
CID:2843419
PubChem ID:71442003
Update Time:2025-04-21
N,N-Bis(carboxymethyl)-L-valine Chemical and Physical Properties
Names and Identifiers
-
- N,N-Bis(carboxymethyl)-L-valine
- 52977-72-7
- DTXSID50850911
-
- Inchi： 1S/C9H15NO6/c1-5(2)8(9(15)16)10(3-6(11)12)4-7(13)14/h5,8H,3-4H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t8-/m0/s1
- InChI Key： MNKCOPCEKKDGGV-QMMMGPOBSA-N
- SMILES： OC([C@H](C(C)C)N(CC(=O)O)CC(=O)O)=O
Computed Properties
- Exact Mass: 233.08993720Da
- Monoisotopic Mass: 233.08993720Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 272
- 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: -1.9
- Topological Polar Surface Area: 115?2
N,N-Bis(carboxymethyl)-L-valine Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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