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(2S,4S)-4-Methylglutamic Acid

CAT: 0572-TRC-M311580-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M311580-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6141-27-1
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
C[C@@H](C[C@H](N)C(=O)O)C(=O)O
Molecular Formula
C6 H11 N O4
Molecular Weight
161.16
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-/m0/s1
Additionnal Information
IUPAC name: (2S,4S)-2-amino-4-methylpentanedioic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(2S,4S)-4-Methylglutamic acid
CAS Number6141-27-1
PubChem CID3246152
IUPAC Name(2S,4S)-2-amino-4-methylpentanedioic acid
Molecular FormulaC6H11NO4
Molecular Weight161.16
XLogP-2.9
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity168
SMILES
C[C@@H](C[C@@H](C(=O)O)N)C(=O)O
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-/m0/s1
InChIKey
KRKRAOXTGDJWNI-IMJSIDKUSA-N
Chemical Structure
2D Structure
2D structure of (2S,4S)-4-Methylglutamic acid
CAS: 6141-27-1
CID: 3246152
Formula: C6H11NO4
MW: 161.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.16
XLogP3-2.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass161.06880783
Monoisotopic Mass161.06880783
Topological Polar Surface Area101 Ų
Heavy Atom Count11
Formal Charge0
Complexity168
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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