Home Other Building Blocks (2S,4R)-4-METHYLGLUTAMIC ACID

(2S,4R)-4-METHYLGLUTAMIC ACID

CAS No.:
31137-74-3
Catalog Number:
AG00BC5I
Molecular Formula:
C6H11NO4
Molecular Weight:
161.1558
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Product Description
Catalog Number:
AG00BC5I
Chemical Name:
(2S,4R)-4-METHYLGLUTAMIC ACID
CAS Number:
31137-74-3
Molecular Formula:
C6H11NO4
Molecular Weight:
161.1558
MDL Number:
MFCD00937765
IUPAC Name:
(2S,4R)-2-amino-4-methylpentanedioic acid
InChI:
InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4+/m1/s1
InChI Key:
KRKRAOXTGDJWNI-DMTCNVIQSA-N
SMILES:
OC(=O)[C@@H](C[C@@H](C(=O)O)N)C
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
161.069g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
161.157g/mol
Monoisotopic Mass:
161.069g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9  
Literature
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Properties