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2225126-83-8 | 3-[(1s,3r)-3-{[(tert-butoxy)carbonyl]amino}cyclobutyl]propanoic acid
CAS No: 2225126-83-8 Catalog No: AG01FIVY MDL No:
Product Description
Catalog Number:
AG01FIVY
Chemical Name:
3-[(1s,3r)-3-{[(tert-butoxy)carbonyl]amino}cyclobutyl]propanoic acid
CAS Number:
2225126-83-8
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
IUPAC Name:
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]propanoic acid
InChI:
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-9-6-8(7-9)4-5-10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChI Key:
NLCJYYRLCOZQCL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1C[C@@H](C1)CCC(=O)O
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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