CC(CC(C(=O)O)N)C(=O)O
Name: (2S)-2-amino-4-methylpentanedioic acid
SMILES: CC(CC(C(=O)O)N)C(=O)O

Molecular Processing

Molecular formula
C6H11NO4
Molecular weight
161.16
Exact mass
161.0688
XLogP
-0.49
TPSA
100.62
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
37.03

Supplementary Information

InChIKey: KRKRAOXTGDJWNI-BKLSDQPFSA-N
Synonyme
4-Methyl-L-glutamate(2S)-2-amino-4-methylpentanedioic acidGlutamic acid,4-methyl-4-methyl-L-glutamic acidAC1L9A9Ygamma-methyl-L-glutamic acidCTK4C4624MLGluSCHEMBL250314CHEBI:1893threo-4-Methyl-L-glutamic AcidCHEBI:20440(2S)-2-amino-4-methylpentanedioicacidAG-D-89608(2S)-2-amino-4-methyl-pentanedioic acidC06234
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