Home Carbonyls (S)-3,3-Dimethyl-2-((1R,2R)-2-pent-4-ynyl-cyclopropoxycarbonylamino)-butyric acid, tert-butylamine salt

(S)-3,3-Dimethyl-2-((1R,2R)-2-pent-4-ynyl-cyclopropoxycarbonylamino)-butyric acid, tert-butylamine salt

CAS No.:
1425038-21-6
Catalog Number:
AG009ID0
Molecular Formula:
C19H34N2O4
Molecular Weight:
354.4843
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Product Description
Catalog Number:
AG009ID0
Chemical Name:
(S)-3,3-Dimethyl-2-((1R,2R)-2-pent-4-ynyl-cyclopropoxycarbonylamino)-butyric acid, tert-butylamine salt
CAS Number:
1425038-21-6
Molecular Formula:
C19H34N2O4
Molecular Weight:
354.4843
MDL Number:
MFCD30489366
IUPAC Name:
(2S)-3,3-dimethyl-2-[[(1R,2R)-2-pent-4-ynylcyclopropyl]oxycarbonylamino]butanoic acid;2-methylpropan-2-amine
InChI:
InChI=1S/C15H23NO4.C4H11N/c1-5-6-7-8-10-9-11(10)20-14(19)16-12(13(17)18)15(2,3)4;1-4(2,3)5/h1,10-12H,6-9H2,2-4H3,(H,16,19)(H,17,18);5H2,1-3H3/t10-,11-,12-;/m1./s1
InChI Key:
YWWBXQRMMYKIGX-AUYLJXNTSA-N
SMILES:
CC(N)(C)C.C#CCCC[C@@H]1C[C@H]1OC(=O)N[C@@H](C(C)(C)C)C(=O)O
Properties
Complexity:
440  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
354.252g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
354.491g/mol
Monoisotopic Mass:
354.252g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties