Home Carbonyls 2-(3-{[(tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentan-1-yl)acetic acid

2-(3-{[(tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentan-1-yl)acetic acid

CAS No.:
2096992-27-5
Catalog Number:
AG00ILG5
Molecular Formula:
C12H19NO4
Molecular Weight:
241.2836
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Product Description
Catalog Number:
AG00ILG5
Chemical Name:
2-(3-{[(tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentan-1-yl)acetic acid
CAS Number:
2096992-27-5
Molecular Formula:
C12H19NO4
Molecular Weight:
241.2836
MDL Number:
MFCD30728477
IUPAC Name:
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl]acetic acid
InChI:
InChI=1S/C12H19NO4/c1-10(2,3)17-9(16)13-12-5-11(6-12,7-12)4-8(14)15/h4-7H2,1-3H3,(H,13,16)(H,14,15)
InChI Key:
NFLPEALSACZHNY-UHFFFAOYSA-N
SMILES:
O=C(NC12CC(C1)(C2)CC(=O)O)OC(C)(C)C
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.131g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.287g/mol
Monoisotopic Mass:
241.131g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties