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3062-19-9 molecular structure
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2-(2-aminopropanamido)-3-hydroxypropanoic acid

ChemBase ID: 109744
Molecular Formular: C6H12N2O4
Molecular Mass: 176.17048
Monoisotopic Mass: 176.07970687
SMILES and InChIs

SMILES:
CC(N)C(=O)NC(CO)C(=O)O
Canonical SMILES:
OCC(C(=O)O)NC(=O)C(N)C
InChI:
InChI=1S/C6H12N2O4/c1-3(7)5(10)8-4(2-9)6(11)12/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)
InChIKey:
IPWKGIFRRBGCJO-UHFFFAOYSA-N

Cite this record

CBID:109744 http://www.chembase.cn/molecule-109744.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-aminopropanamido)-3-hydroxypropanoic acid
IUPAC Traditional name
2-(2-aminopropanamido)-3-hydroxypropanoic acid
Synonyms
DL-ALANYL-DL-SERINE
CAS Number
3062-19-9
PubChem SID
162095186
PubChem CID
96821

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 96821 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.476462  H Acceptors
H Donor LogD (pH = 5.5) -4.4276805 
LogD (pH = 7.4) -4.463853  Log P -4.426506 
Molar Refractivity 39.3384 cm3 Polarizability 15.829292 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
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Certificate of Analysis
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Description
2 Diastereomers expand Show data source
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05212409 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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