Home Carbonyls CarbaMic acid, N-[(1S)-3-Methyl-1-[[(2S)-2-Methyl-2-oxiranyl]carbonyl]butyl]-, 1,1-diMethylethyl ester

CarbaMic acid, N-[(1S)-3-Methyl-1-[[(2S)-2-Methyl-2-oxiranyl]carbonyl]butyl]-, 1,1-diMethylethyl ester

CAS No.:
247068-83-3
Catalog Number:
AG00BF2Q
Molecular Formula:
C14H25NO4
Molecular Weight:
271.3526
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Product Description
Catalog Number:
AG00BF2Q
Chemical Name:
CarbaMic acid, N-[(1S)-3-Methyl-1-[[(2S)-2-Methyl-2-oxiranyl]carbonyl]butyl]-, 1,1-diMethylethyl ester
CAS Number:
247068-83-3
Molecular Formula:
C14H25NO4
Molecular Weight:
271.3526
MDL Number:
MFCD28167910
IUPAC Name:
tert-butyl N-[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]carbamate
InChI:
InChI=1S/C14H25NO4/c1-9(2)7-10(11(16)14(6)8-18-14)15-12(17)19-13(3,4)5/h9-10H,7-8H2,1-6H3,(H,15,17)/t10-,14-/m0/s1
InChI Key:
DDMPMIMTLBGEHT-HZMBPMFUSA-N
SMILES:
CC(C[C@@H](C(=O)[C@]1(C)CO1)NC(=O)OC(C)(C)C)C
Properties
Complexity:
359  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
271.178g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
271.357g/mol
Monoisotopic Mass:
271.178g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties