Home Carbonyls 2-(3-{[(tert-butoxy)carbonyl]amino}-2-oxoazepan-1-yl)acetic acid

2-(3-{[(tert-butoxy)carbonyl]amino}-2-oxoazepan-1-yl)acetic acid

CAS No.:
876624-49-6
Catalog Number:
AG01C4F0
Molecular Formula:
C13H22N2O5
Molecular Weight:
286.3242
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Product Description
Catalog Number:
AG01C4F0
Chemical Name:
2-(3-{[(tert-butoxy)carbonyl]amino}-2-oxoazepan-1-yl)acetic acid
CAS Number:
876624-49-6
Molecular Formula:
C13H22N2O5
Molecular Weight:
286.3242
MDL Number:
MFCD24533416
IUPAC Name:
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]acetic acid
InChI:
InChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)14-9-6-4-5-7-15(11(9)18)8-10(16)17/h9H,4-8H2,1-3H3,(H,14,19)(H,16,17)
InChI Key:
JABSORAZQPYNMZ-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCCCC(C1=O)NC(=O)OC(C)(C)C
Properties
Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.153g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
286.328g/mol
Monoisotopic Mass:
286.153g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties