Home Carbonyls Carbamic acid, [(1S)-1-(aminocarbonyl)-3-methylbutyl]-,1,1-dimethylethyl ester

Carbamic acid, [(1S)-1-(aminocarbonyl)-3-methylbutyl]-,1,1-dimethylethyl ester

CAS No.:
70533-96-9
Catalog Number:
AG00IC2P
Molecular Formula:
C11H22N2O3
Molecular Weight:
230.3040
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Product Description
Catalog Number:
AG00IC2P
Chemical Name:
Carbamic acid, [(1S)-1-(aminocarbonyl)-3-methylbutyl]-,1,1-dimethylethyl ester
CAS Number:
70533-96-9
Molecular Formula:
C11H22N2O3
Molecular Weight:
230.3040
MDL Number:
MFCD08275793
IUPAC Name:
tert-butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate
InChI:
InChI=1S/C11H22N2O3/c1-7(2)6-8(9(12)14)13-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H2,12,14)(H,13,15)/t8-/m0/s1
InChI Key:
LJPDJTPZNJKXPW-QMMMGPOBSA-N
SMILES:
CC(C[C@@H](C(=O)N)NC(=O)OC(C)(C)C)C
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
230.163g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
230.308g/mol
Monoisotopic Mass:
230.163g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties