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15673-81-1 molecular structure
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ammonium 4-amino-4-carboxybutanoate

ChemBase ID: 128438
Molecular Formular: C5H12N2O4
Molecular Mass: 164.15978
Monoisotopic Mass: 164.07970687
SMILES and InChIs

SMILES:
O=C([O-])CCC(N)C(=O)O.[NH4+]
Canonical SMILES:
[O-]C(=O)CCC(C(=O)O)N.[NH4+]
InChI:
InChI=1S/C5H9NO4.H3N/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3
InChIKey:
PHKGGXPMPXXISP-UHFFFAOYSA-N

Cite this record

CBID:128438 http://www.chembase.cn/molecule-128438.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ammonium 4-amino-4-carboxybutanoate
IUPAC Traditional name
ammonium 4-amino-4-carboxybutanoate
Synonyms
Ammonium glutamate
Monoammonium glutamate
CAS Number
15673-81-1
PubChem SID
162222745
PubChem CID
24200
Chemspider ID
22622
Wikipedia Title
Monoammonium_glutamate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.8777773  H Acceptors
H Donor LogD (pH = 5.5) -4.4458017 
LogD (pH = 7.4) -6.180975  Log P -3.241447 
Molar Refractivity 42.1248 cm3 Polarizability 12.57248 Å3
Polar Surface Area 103.45 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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