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64757-64-8 molecular structure
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(2S)-2-amino-2-(furan-2-yl)acetic acid

ChemBase ID: 813405
Molecular Formular: C6H7NO3
Molecular Mass: 141.12468
Monoisotopic Mass: 141.04259309
SMILES and InChIs

SMILES:
[C@@H](C(=O)O)(c1occc1)N
Canonical SMILES:
OC(=O)[C@H](c1ccco1)N
InChI:
InChI=1S/C6H7NO3/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5H,7H2,(H,8,9)/t5-/m0/s1
InChIKey:
DYFYPSCJKBYYNK-YFKPBYRVSA-N

Cite this record

CBID:813405 http://www.chembase.cn/molecule-813405.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-amino-2-(furan-2-yl)acetic acid
IUPAC Traditional name
(S)-amino(furan-2-yl)acetic acid
Synonyms
(S)-2-amino-2-(furan-2-yl)acetic acid
CAS Number
64757-64-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O34921 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O34921 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.6587865  H Acceptors
H Donor LogD (pH = 5.5) -2.4075327 
LogD (pH = 7.4) -2.639528  Log P -2.4048507 
Molar Refractivity 32.7522 cm3 Polarizability 12.997903 Å3
Polar Surface Area 76.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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