Home > Compound List > Compound details
630392-83-5 molecular structure
click picture or here to close

(2S)-2-amino-2-(1H-indol-3-yl)acetic acid

ChemBase ID: 810414
Molecular Formular: C10H10N2O2
Molecular Mass: 190.1986
Monoisotopic Mass: 190.07422757
SMILES and InChIs

SMILES:
[C@@H](C(=O)O)(c1c[nH]c2c1cccc2)N
Canonical SMILES:
OC(=O)[C@H](c1c[nH]c2c1cccc2)N
InChI:
InChI=1S/C10H10N2O2/c11-9(10(13)14)7-5-12-8-4-2-1-3-6(7)8/h1-5,9,12H,11H2,(H,13,14)/t9-/m0/s1
InChIKey:
AIZGBPJAKQNCSD-VIFPVBQESA-N

Cite this record

CBID:810414 http://www.chembase.cn/molecule-810414.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-amino-2-(1H-indol-3-yl)acetic acid
IUPAC Traditional name
(S)-amino(1H-indol-3-yl)acetic acid
Synonyms
(S)-AMINO-(1H-INDOL-3-YL)-ACETIC ACID
CAS Number
630392-83-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O28943 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O28943 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.353668  H Acceptors
H Donor LogD (pH = 5.5) -1.3736272 
LogD (pH = 7.4) -1.3825325  Log P -1.3737065 
Molar Refractivity 51.4478 cm3 Polarizability 21.245136 Å3
Polar Surface Area 79.11 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle