Home Carbonyls 3-[(3-{[(tert-butoxy)carbonyl]amino}propyl)sulfanyl]propanoic acid

3-[(3-{[(tert-butoxy)carbonyl]amino}propyl)sulfanyl]propanoic acid

CAS No.:
1555902-65-2
Catalog Number:
AG01C98M
Molecular Formula:
C11H21NO4S
Molecular Weight:
263.3537
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Product Description
Catalog Number:
AG01C98M
Chemical Name:
3-[(3-{[(tert-butoxy)carbonyl]amino}propyl)sulfanyl]propanoic acid
CAS Number:
1555902-65-2
Molecular Formula:
C11H21NO4S
Molecular Weight:
263.3537
MDL Number:
MFCD26733160
IUPAC Name:
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfanyl]propanoic acid
InChI:
InChI=1S/C11H21NO4S/c1-11(2,3)16-10(15)12-6-4-7-17-8-5-9(13)14/h4-8H2,1-3H3,(H,12,15)(H,13,14)
InChI Key:
HIVGKEQMXBMKOR-UHFFFAOYSA-N
SMILES:
OC(=O)CCSCCCNC(=O)OC(C)(C)C
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.119g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
263.352g/mol
Monoisotopic Mass:
263.119g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties