Home > Compound List > Compound details
207924-92-3 molecular structure
click picture or here to close

(4S)-4-{[(tert-butoxy)carbonyl]amino}pentanoic acid

ChemBase ID: 290249
Molecular Formular: C10H19NO4
Molecular Mass: 217.26216
Monoisotopic Mass: 217.13140809
SMILES and InChIs

SMILES:
C[C@H](NC(=O)OC(C)(C)C)CCC(=O)O
Canonical SMILES:
C[C@H](NC(=O)OC(C)(C)C)CCC(=O)O
InChI:
InChI=1S/C10H19NO4/c1-7(5-6-8(12)13)11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKey:
CVYVXURBKURNKE-ZETCQYMHSA-N

Cite this record

CBID:290249 http://www.chembase.cn/molecule-290249.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4S)-4-{[(tert-butoxy)carbonyl]amino}pentanoic acid
IUPAC Traditional name
(4S)-4-[(tert-butoxycarbonyl)amino]pentanoic acid
Synonyms
(S)-4-((tert-Butoxycarbonyl)amino)pentanoic acid
CAS Number
207924-92-3
PubChem SID
180675780
PubChem CID
2755918

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD228725 Please log in.
Data Source Data ID
PubChem 2755918 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.6130857  H Acceptors
H Donor LogD (pH = 5.5) 0.34796444 
LogD (pH = 7.4) -1.4285381  Log P 1.2868708 
Molar Refractivity 54.7496 cm3 Polarizability 21.639687 Å3
Polar Surface Area 75.63 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