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704-15-4 molecular structure
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1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid

ChemBase ID: 102493
Molecular Formular: C7H12N2O3
Molecular Mass: 172.18178
Monoisotopic Mass: 172.08479225
SMILES and InChIs

SMILES:
NCC(=O)N1CCCC1C(=O)O
Canonical SMILES:
NCC(=O)N1CCCC1C(=O)O
InChI:
InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)
InChIKey:
KZNQNBZMBZJQJO-UHFFFAOYSA-N

Cite this record

CBID:102493 http://www.chembase.cn/molecule-102493.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid
IUPAC Traditional name
gly-pro
Synonyms
Gly-Pro
GLYCYL-L-PROLINE
Gly-Pro
CAS Number
704-15-4
EC Number
211-880-2
MDL Number
MFCD00020840
PubChem SID
24895111
162089918
PubChem CID
79101

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 79101 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.6122622  H Acceptors
H Donor LogD (pH = 5.5) -3.677112 
LogD (pH = 7.4) -3.741057  Log P -3.6760077 
Molar Refractivity 40.9899 cm3 Polarizability 16.247286 Å3
Polar Surface Area 83.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
-20°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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