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1260837-92-0 | 3-Pyrrolidinecarboxylic acid, 4-[[(phenylmethoxy)carbonyl]amino]-
CAS No: 1260837-92-0 Catalog No: AG000REW MDL No:
Product Description
Catalog Number:
AG000REW
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-[[(phenylmethoxy)carbonyl]amino]-
CAS Number:
1260837-92-0
Molecular Formula:
C13H16N2O4
Molecular Weight:
264.2771
IUPAC Name:
4-(phenylmethoxycarbonylamino)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C13H16N2O4/c16-12(17)10-6-14-7-11(10)15-13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,15,18)(H,16,17)
InChI Key:
VNCNZXSGXXEPGT-UHFFFAOYSA-N
SMILES:
O=C(NC1CNCC1C(=O)O)OCc1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.281g/mol
Monoisotopic Mass:
264.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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