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138-15-8 molecular structure
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2-aminopentanedioic acid hydrochloride

ChemBase ID: 107466
Molecular Formular: C5H10ClNO4
Molecular Mass: 183.5902
Monoisotopic Mass: 183.02983549
SMILES and InChIs

SMILES:
Cl.NC(CCC(=O)O)C(=O)O
Canonical SMILES:
OC(=O)CCC(C(=O)O)N.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
InChIKey:
RPAJSBKBKSSMLJ-UHFFFAOYSA-N

Cite this record

CBID:107466 http://www.chembase.cn/molecule-107466.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-aminopentanedioic acid hydrochloride
IUPAC Traditional name
α-aminoglutarate hydrochloride
Synonyms
DL-GLUTAMIC ACID HCl
CAS Number
138-15-8
PubChem SID
162093215
PubChem CID
8737

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05203839 external link Add to cart Please log in.
Data Source Data ID
PubChem 8737 external link

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 31.2877 cm3 Polarizability 12.69048 Å3
Polar Surface Area 100.62 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05203839 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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