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262280-14-8 | Cyclopentanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-, methyl ester, (1R,3S,4S)-
CAS No: 262280-14-8 Catalog No: AG002SCF MDL No:MFCD02259721
Product Description
Catalog Number:
AG002SCF
Chemical Name:
Cyclopentanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-, methyl ester, (1R,3S,4S)-
CAS Number:
262280-14-8
Molecular Formula:
C12H21NO5
Molecular Weight:
259.2988
MDL Number:
MFCD02259721
IUPAC Name:
methyl (1R,3S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
InChI:
InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-8-5-7(6-9(8)14)10(15)17-4/h7-9,14H,5-6H2,1-4H3,(H,13,16)/t7-,8+,9+/m1/s1
InChI Key:
SSATZBUCOTXXGA-VGMNWLOBSA-N
SMILES:
COC(=O)[C@H]1C[C@@H]([C@H](C1)NC(=O)OC(C)(C)C)O
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
259.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.302g/mol
Monoisotopic Mass:
259.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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