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82660-87-5 molecular structure
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2-(2-aminoacetamido)-3-hydroxypropanoic acid

ChemBase ID: 153465
Molecular Formular: C5H10N2O4
Molecular Mass: 162.1439
Monoisotopic Mass: 162.06405681
SMILES and InChIs

SMILES:
C(C(C(=O)O)NC(=O)CN)O
Canonical SMILES:
OCC(C(=O)O)NC(=O)CN
InChI:
InChI=1S/C5H10N2O4/c6-1-4(9)7-3(2-8)5(10)11/h3,8H,1-2,6H2,(H,7,9)(H,10,11)
InChIKey:
BCCRXDTUTZHDEU-UHFFFAOYSA-N

Cite this record

CBID:153465 http://www.chembase.cn/molecule-153465.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-aminoacetamido)-3-hydroxypropanoic acid
IUPAC Traditional name
2-(2-aminoacetamido)-3-hydroxypropanoic acid
Synonyms
Gly-D-Ser
CAS Number
82660-87-5
MDL Number
MFCD00025583
PubChem SID
162247604
PubChem CID
102466

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 102466 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.3564572  H Acceptors
H Donor LogD (pH = 5.5) -4.995702 
LogD (pH = 7.4) -5.060666  Log P -4.9959664 
Molar Refractivity 34.8445 cm3 Polarizability 14.025267 Å3
Polar Surface Area 112.65 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Storage Temperature
-20°C expand Show data source
Empirical Formula (Hill Notation)
C5H10N2O4 expand Show data source
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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