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130981-12-3 | Cyclopentanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1R,2S)-
CAS No: 130981-12-3 Catalog No: AG000V7R MDL No:MFCD09750530
Product Description
Catalog Number:
AG000V7R
Chemical Name:
Cyclopentanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1R,2S)-
CAS Number:
130981-12-3
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
MDL Number:
MFCD09750530
IUPAC Name:
(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-8-6-4-5-7(8)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m1/s1
InChI Key:
BUEPEVBYNBQNED-SFYZADRCSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1CCC[C@H]1C(=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:
1.9
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