Home > Compound List > Compound details
672883-23-7 molecular structure
click picture or here to close

tert-butyl N-[(3S)-5-oxopyrrolidin-3-yl]carbamate

ChemBase ID: 289489
Molecular Formular: C9H16N2O3
Molecular Mass: 200.23494
Monoisotopic Mass: 200.11609238
SMILES and InChIs

SMILES:
O=C(OC(C)(C)C)N[C@H]1CC(=O)NC1
Canonical SMILES:
O=C1NC[C@H](C1)NC(=O)OC(C)(C)C
InChI:
InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-6-4-7(12)10-5-6/h6H,4-5H2,1-3H3,(H,10,12)(H,11,13)/t6-/m0/s1
InChIKey:
PFHVTCWJHBHEFA-LURJTMIESA-N

Cite this record

CBID:289489 http://www.chembase.cn/molecule-289489.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-[(3S)-5-oxopyrrolidin-3-yl]carbamate
IUPAC Traditional name
tert-butyl N-[(3S)-5-oxopyrrolidin-3-yl]carbamate
Synonyms
(S)-tert-Butyl (5-oxopyrrolidin-3-yl)carbamate
CAS Number
672883-23-7
MDL Number
MFCD20257110
PubChem SID
180675020
PubChem CID
45091936

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD222447 Please log in.
Data Source Data ID
PubChem 45091936 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.083677  H Acceptors
H Donor LogD (pH = 5.5) -0.113389865 
LogD (pH = 7.4) -0.11338993  Log P -0.11338986 
Molar Refractivity 49.9959 cm3 Polarizability 19.763334 Å3
Polar Surface Area 67.43 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% 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