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161601-29-2 | Cyclopentanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1S,3S)-
CAS No: 161601-29-2 Catalog No: AG001VQT MDL No:MFCD02259726
Product Description
Catalog Number:
AG001VQT
Chemical Name:
Cyclopentanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1S,3S)-
CAS Number:
161601-29-2
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
MDL Number:
MFCD02259726
IUPAC Name:
(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-8-5-4-7(6-8)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1
InChI Key:
RNJQBGXOSAQQDG-YUMQZZPRSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1CC[C@@H](C1)C(=O)O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
229.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.276g/mol
Monoisotopic Mass:
229.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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