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220497-67-6 | (1R,3S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-cyclopentanecarboxylic acid
CAS No: 220497-67-6 Catalog No: AG0035Y7 MDL No:MFCD01311758
Product Description
Catalog Number:
AG0035Y7
Chemical Name:
(1R,3S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-cyclopentanecarboxylic acid
CAS Number:
220497-67-6
Molecular Formula:
C21H21NO4
Molecular Weight:
351.3957
MDL Number:
MFCD01311758
IUPAC Name:
(1R,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C21H21NO4/c23-20(24)13-9-10-14(11-13)22-21(25)26-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19H,9-12H2,(H,22,25)(H,23,24)/t13-,14+/m1/s1
InChI Key:
BHDMUBZVWRSQOT-KGLIPLIRSA-N
SMILES:
O=C(N[C@H]1CC[C@H](C1)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
351.147g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.402g/mol
Monoisotopic Mass:
351.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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