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(S) -2-Aminohexanedioicacid

CAT: 1489-L1570-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
1118-90-7
Purity
0.98

Chemical Information

L-2-Aminoadipic Acid

L-2-aminoadipic acid is the L-enantiomer of 2-aminoadipic acid. It has a role as an Escherichia coli metabolite and a human metabolite. It is functionally related to an adipic acid. It is a conjugate acid of a L-2-aminoadipate(2-) and a L-2-aminoadipate(1-). It is an enantiomer of a D-2-aminoadipic acid.

CAS Number1118-90-7
PubChem CID92136
IUPAC Name(2S)-2-aminohexanedioic acid
Molecular FormulaC6H11NO4
Molecular Weight161.16
XLogP-3.1
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity157
SMILES
C(C[C@@H](C(=O)O)N)CC(=O)O
InChI
InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKey
OYIFNHCXNCRBQI-BYPYZUCNSA-N
Chemical Structure
2D Structure
2D structure of L-2-Aminoadipic Acid
CAS: 1118-90-7
CID: 92136
Formula: C6H11NO4
MW: 161.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.16
XLogP3-3.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass161.06880783
Monoisotopic Mass161.06880783
Topological Polar Surface Area101 Ų
Heavy Atom Count11
Formal Charge0
Complexity157
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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