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191110-70-0 | Cyclopentanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, methyl ester
CAS No: 191110-70-0 Catalog No: AG002F1V MDL No:
Product Description
Catalog Number:
AG002F1V
Chemical Name:
Cyclopentanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, methyl ester
CAS Number:
191110-70-0
Molecular Formula:
C12H21NO5
Molecular Weight:
259.2988
IUPAC Name:
methyl 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
InChI:
InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-12(9(15)17-4)6-5-8(14)7-12/h8,14H,5-7H2,1-4H3,(H,13,16)
InChI Key:
DGGYHHOCKGUOEI-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCC(C1)O)NC(=O)OC(C)(C)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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