L-Glutamic acid hydrochloride

CAS Number: 138-15-8
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N[C@@H](CCC(O)=O)C(O)=O.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C5H9NO4
Molecular Weight
147.129
Drug-likeness
-18.651
CAS
138-15-8
InChI key
RPAJSBKBKSSMLJ-DFWYDOINSA-N
SMILES
N[C@@H](CCC(O)=O)C(O)=O.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 138-15-8
Molecule Name L-Glutamic acid hydrochloride
Molecular Formula HCl.C5H9NO4
SMILES N[C@@H](CCC(O)=O)C(O)=O.Cl
InChI InChI=1S/C5H9NO4.ClH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H/t3-;/m0./s1
InChI Key RPAJSBKBKSSMLJ-DFWYDOINSA-N
CanonicalSyTyLFy 61152e28d5b6c7de
TotalMolweight 183.59
Molecular Weight 147.129
MonoisotopicMass 147.053159
CLogP -3.3586
CLogS -0.421
H Acceptors 5
H Donors 3
TotalSurfaceArea 110.24
Relative PSA 0.61275
PolarSurfaceArea 100.62
Drug-likeness -18.651
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.7
Molecula Flexibility 0.73181
Molecular Complexity 0.62123
Fragments 2
Non HAtoms 10
NonCHAtoms 5
Electronegative Atoms 5
StereoCenters 1
Rotatable Bond 4
Sp3Atoms 6
Amines 1
AlkylAmines 1
BasicNitrogens 1
AcidicOxygens 2
StereoCon this enantiomer

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