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1255099-67-2 | 1-Pyrrolidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(hydroxymethyl)-, phenylmethyl ester
CAS No: 1255099-67-2 Catalog No: AG000NS6 MDL No:MFCD17926171
Product Description
Catalog Number:
AG000NS6
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(hydroxymethyl)-, phenylmethyl ester
CAS Number:
1255099-67-2
Molecular Formula:
C18H26N2O5
Molecular Weight:
350.4094
MDL Number:
MFCD17926171
IUPAC Name:
benzyl 3-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C18H26N2O5/c1-18(2,3)25-16(22)19-15-10-20(9-14(15)11-21)17(23)24-12-13-7-5-4-6-8-13/h4-8,14-15,21H,9-12H2,1-3H3,(H,19,22)
InChI Key:
UVYCLXXPQAPHKR-UHFFFAOYSA-N
SMILES:
OCC1CN(CC1NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.184g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.415g/mol
Monoisotopic Mass:
350.184g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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