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915921-77-6 molecular structure
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2-[(5-formylpyrimidin-2-yl)(methyl)amino]acetic acid

ChemBase ID: 307792
Molecular Formular: C8H9N3O3
Molecular Mass: 195.17536
Monoisotopic Mass: 195.06439116
SMILES and InChIs

SMILES:
c1(ncc(cn1)C=O)N(CC(=O)O)C
Canonical SMILES:
O=Cc1cnc(nc1)N(CC(=O)O)C
InChI:
InChI=1S/C8H9N3O3/c1-11(4-7(13)14)8-9-2-6(5-12)3-10-8/h2-3,5H,4H2,1H3,(H,13,14)
InChIKey:
VSXMBPJXDSWBFQ-UHFFFAOYSA-N

Cite this record

CBID:307792 http://www.chembase.cn/molecule-307792.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(5-formylpyrimidin-2-yl)(methyl)amino]acetic acid
IUPAC Traditional name
[(5-formylpyrimidin-2-yl)(methyl)amino]acetic acid
Synonyms
N-(5-formylpyrimidin-2-yl)-N-methylglycine
CAS Number
915921-77-6
MDL Number
MFCD08752994

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.358512  LogD (pH = 7.4) -3.4366581 
Log P -0.253998  Molar Refractivity 49.7655 cm3
Polarizability 17.751118 Å3 Polar Surface Area 83.39 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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