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1260806-29-8 | 3-Pyrrolidinecarboxylic acid, 4-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS No: 1260806-29-8 Catalog No: AG000RBY MDL No:MFCD11847977
Product Description
Catalog Number:
AG000RBY
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS Number:
1260806-29-8
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
MDL Number:
MFCD11847977
IUPAC Name:
methyl 4-(phenylmethoxycarbonylamino)pyrrolidine-3-carboxylate
InChI:
InChI=1S/C14H18N2O4/c1-19-13(17)11-7-15-8-12(11)16-14(18)20-9-10-5-3-2-4-6-10/h2-6,11-12,15H,7-9H2,1H3,(H,16,18)
InChI Key:
DSOZCTHYHKINTK-UHFFFAOYSA-N
SMILES:
COC(=O)C1CNCC1NC(=O)OCc1ccccc1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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