Monopotassium L-glutamate

CAS Number: 19473-49-5
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N[C@@H](CCC(O)=O)C([O-])=O.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C5H8NO4
Molecular Weight
146.122
Drug-likeness
-8.1601
CAS
19473-49-5
InChI key
HQEROMHPIOLGCB-DFWYDOINSA-M
SMILES
N[C@@H](CCC(O)=O)C([O-])=O.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 19473-49-5
Molecule Name Monopotassium L-glutamate
Molecular Formula K.C5H8NO4
SMILES N[C@@H](CCC(O)=O)C([O-])=O.[K+]
InChI InChI=1S/C5H9NO4.K/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/t3-;/m0./s1
InChI Key HQEROMHPIOLGCB-DFWYDOINSA-M
CanonicalSyTyLFy 61152e28d5b6c7de
TotalMolweight 185.22
Molecular Weight 146.122
MonoisotopicMass 146.045334
CLogP -5.4346
CLogS -0.421
H Acceptors 5
H Donors 2
TotalSurfaceArea 111.42
Relative PSA 0.61686
PolarSurfaceArea 103.45
Drug-likeness -8.1601
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.7
Molecula Flexibility 0.74834
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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