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7412-78-4 molecular structure
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2-(2-aminoacetamido)pentanedioic acid

ChemBase ID: 102481
Molecular Formular: C7H12N2O5
Molecular Mass: 204.18058
Monoisotopic Mass: 204.07462149
SMILES and InChIs

SMILES:
NCC(=O)NC(CCC(=O)O)C(=O)O
Canonical SMILES:
NCC(=O)NC(C(=O)O)CCC(=O)O
InChI:
InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)
InChIKey:
IEFJWDNGDZAYNZ-UHFFFAOYSA-N

Cite this record

CBID:102481 http://www.chembase.cn/molecule-102481.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-aminoacetamido)pentanedioic acid
IUPAC Traditional name
2-(2-aminoacetamido)pentanedioic acid
Synonyms
Glycyl-L-glutamic acid
GLY-GLU
CAS Number
7412-78-4
EC Number
231-019-4
PubChem SID
162088443
PubChem CID
306108

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02101855 external link Add to cart Please log in.
Data Source Data ID
PubChem 306108 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.1735241  H Acceptors
H Donor LogD (pH = 5.5) -5.7890344 
LogD (pH = 7.4) -7.5146475  Log P -4.610646 
Molar Refractivity 44.0912 cm3 Polarizability 17.651577 Å3
Polar Surface Area 129.72 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
155-158°C expand Show data source
Storage Condition
0°C expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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