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Cyclopropanepropanoic acid, β-cyclopropyl-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-

HCID 178761992
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Basic information

CAS
2548967-22-0
Standard SMILES
CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C1CC1)C1CC1
InChIKey
VRJSPHBNIYAYAY-LBPXTSNRNA-N
Molecular formula
C14H23NO4
Average molar mass
269.34 g/mol

Names & identifiers

Preferred name
Cyclopropanepropanoic acid, β-cyclopropyl-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-
English name
Cyclopropanepropanoic acid, β-cyclopropyl-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-
Molecular formula
C14H23NO4
Molecular weight
269.34

Names & synonyms

(S)-2-((tert-Butoxycarbonyl)amino)-3,3-dicyclopropylpropanoic acidBoc-L-2-amino-3,3-dicyclopropyl-propanoic acidBoc-3,3-DicPr-Ala-OH(S)-2-(Boc-amino)-3,3-dicyclopropylpropanoic Acid(S)-2-((tert-Butoxycarbonyl)amino)-3,3-dicyclopropylpropanoic acid - [B91624]Cyclopropanepropanoic acid, β-cyclopropyl-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-

Database identifiers

CAS
2548967-22-0

Properties

Physicochemical properties

Boiling point
420.883 · 420.883±28.00 °C(Press: 760.00 Torr)(predicted)
Density
1.219 · 1.219±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.
Store at room temperature
pka
3.989 · 3.989±0.10(predicted)
Appearance
White to off-white Solid
InChI
InChI=1/C14H23NO4/c1-14(2,3)19-13(18)15-11(12(16)17)10(8-4-5-8)9-6-7-9/h8-11H,4-7H2,1-3H3,(H,15,18)(H,16,17)/t11-/s3
InChIKey
VRJSPHBNIYAYAY-LBPXTSNRNA-N
SMILES
C(C1CC1)(C1CC1)[C@@H](C(=O)O)NC(=O)OC(C)(C)C |&1:7,r|
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Related reactions

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