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69901-85-5 | (R)-2-(((Benzyloxy)carbonyl)amino)-2-cyclohexylacetic acid
CAS No: 69901-85-5 Catalog No: AG0035SV MDL No:MFCD00191082
Product Description
Catalog Number:
AG0035SV
Chemical Name:
(R)-2-(((Benzyloxy)carbonyl)amino)-2-cyclohexylacetic acid
CAS Number:
69901-85-5
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD00191082
IUPAC Name:
(2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid
InChI:
InChI=1S/C16H21NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,20)(H,18,19)/t14-/m1/s1
InChI Key:
CUSYTUPJAYLNFQ-CQSZACIVSA-N
SMILES:
O=C(N[C@@H](C(=O)O)C1CCCCC1)OCc1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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