Home > Compound List > Compound details
109183-72-4 molecular structure
click picture or here to close

(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-cyclopentylacetic acid

ChemBase ID: 70964
Molecular Formular: C12H21NO4
Molecular Mass: 243.29944
Monoisotopic Mass: 243.14705816
SMILES and InChIs

SMILES:
C(=O)([C@H](C1CCCC1)NC(=O)OC(C)(C)C)O
Canonical SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)C1CCCC1
InChI:
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-9(10(14)15)8-6-4-5-7-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKey:
WBSJQVRMQOLSAT-VIFPVBQESA-N

Cite this record

CBID:70964 http://www.chembase.cn/molecule-70964.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-cyclopentylacetic acid
IUPAC Traditional name
(S)-[(tert-butoxycarbonyl)amino](cyclopentyl)acetic acid
Synonyms
Boc-L-Cyclopentylglycine
(S)-2-((tert-Butoxycarbonyl)amino)-2-cyclopentylacetic acid
CAS Number
109183-72-4
MDL Number
MFCD06795810
PubChem SID
162036672
PubChem CID
7020746

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7020746 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.110072  H Acceptors
H Donor LogD (pH = 5.5) 0.822159 
LogD (pH = 7.4) -0.86628777  Log P 2.2262926 
Molar Refractivity 61.7657 cm3 Polarizability 24.582556 Å3
Polar Surface Area 75.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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