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7150-74-5 molecular structure
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2-amino-4-methylidenepentanedioic acid

ChemBase ID: 104334
Molecular Formular: C6H9NO4
Molecular Mass: 159.13996
Monoisotopic Mass: 159.05315777
SMILES and InChIs

SMILES:
NC(CC(=C)C(=O)O)C(=O)O
Canonical SMILES:
NC(C(=O)O)CC(=C)C(=O)O
InChI:
InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)
InChIKey:
RCCMXKJGURLWPB-UHFFFAOYSA-N

Cite this record

CBID:104334 http://www.chembase.cn/molecule-104334.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-4-methylidenepentanedioic acid
IUPAC Traditional name
DL-glutamic acid, 4-methylene-
Synonyms
γ-METHYLENE-DL-GLUTAMIC ACID
CAS Number
7150-74-5
PubChem SID
162091640
PubChem CID
96407

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02155533 external link Add to cart Please log in.
Data Source Data ID
PubChem 96407 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.9310254  H Acceptors
H Donor LogD (pH = 5.5) -3.8797066 
LogD (pH = 7.4) -5.638576  Log P -2.7880769 
Molar Refractivity 35.6656 cm3 Polarizability 14.240374 Å3
Polar Surface Area 100.62 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
0°C expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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