Home Carbonyls (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-pentynoic acid methyl ester

(2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-pentynoic acid methyl ester

CAS No.:
71460-02-1
Catalog Number:
AG00FG05
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
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Product Description
Catalog Number:
AG00FG05
Chemical Name:
(2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-pentynoic acid methyl ester
CAS Number:
71460-02-1
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
MDL Number:
MFCD07368399
IUPAC Name:
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate
InChI:
InChI=1S/C11H17NO4/c1-6-7-8(9(13)15-5)12-10(14)16-11(2,3)4/h1,8H,7H2,2-5H3,(H,12,14)/t8-/m0/s1
InChI Key:
QPMUXIIQQHTMKO-QMMMGPOBSA-N
SMILES:
C#CC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
227.116g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.26g/mol
Monoisotopic Mass:
227.116g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties