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1027511-74-5 | 3-Pyrrolidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(phenylmethyl)-
CAS No: 1027511-74-5 Catalog No: AG0008AE MDL No:MFCD09838930
Product Description
Catalog Number:
AG0008AE
Chemical Name:
3-Pyrrolidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(phenylmethyl)-
CAS Number:
1027511-74-5
Molecular Formula:
C17H24N2O4
Molecular Weight:
320.3835
MDL Number:
MFCD09838930
IUPAC Name:
1-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C17H24N2O4/c1-16(2,3)23-15(22)18-17(14(20)21)9-10-19(12-17)11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,18,22)(H,20,21)
InChI Key:
PXFJWKWTINVBAL-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCN(C1)Cc1ccccc1)C(=O)O)OC(C)(C)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.389g/mol
Monoisotopic Mass:
320.174g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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