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1086398-30-2 | 3-Cbz-Amino-2-cyclopentyl-propionic acid
CAS No: 1086398-30-2 Catalog No: AG01FBRT MDL No:
Product Description
Catalog Number:
AG01FBRT
Chemical Name:
3-Cbz-Amino-2-cyclopentyl-propionic acid
CAS Number:
1086398-30-2
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
IUPAC Name:
2-cyclopentyl-3-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C16H21NO4/c18-15(19)14(13-8-4-5-9-13)10-17-16(20)21-11-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,20)(H,18,19)
InChI Key:
XZOXJGOQNAJQNT-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)NCC(C1CCCC1)C(=O)O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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