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17343-03-2 molecular structure
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2-(2-aminoacetamido)butanedioic acid

ChemBase ID: 131067
Molecular Formular: C6H10N2O5
Molecular Mass: 190.154
Monoisotopic Mass: 190.05897143
SMILES and InChIs

SMILES:
C(C(C(=O)O)NC(=O)CN)C(=O)O
Canonical SMILES:
NCC(=O)NC(C(=O)O)CC(=O)O
InChI:
InChI=1S/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)
InChIKey:
SCCPDJAQCXWPTF-UHFFFAOYSA-N

Cite this record

CBID:131067 http://www.chembase.cn/molecule-131067.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-aminoacetamido)butanedioic acid
IUPAC Traditional name
2-(2-aminoacetamido)butanedioic acid
Synonyms
Gly-D-Asp
Gly-DL-Asp
CAS Number
17343-03-2
79731-35-4
MDL Number
MFCD00066049
PubChem SID
24895102
162225345
PubChem CID
273261

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 273261 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.1682134  H Acceptors
H Donor LogD (pH = 5.5) -5.1491876 
LogD (pH = 7.4) -6.953223  Log P -4.6670218 
Molar Refractivity 39.3362 cm3 Polarizability 15.854732 Å3
Polar Surface Area 129.72 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Pharmacology Properties Bioassay(PubChem)
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Gene Information
human ... SLC15A1(6564) expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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