Chemical ID: 4707100

COC(=O)C1CC(CN1C(=O)c2ccccc2)O
Chemical ID:
4707100
Name [?]:
methyl 1-benzoyl-4-hydroxy-pyrrolidine-2-carboxylate
SMILES [?]:
COC(=O)C1CC(CN1C(=O)c2ccccc2)O
InChi [?]:
InChI=1/C13H15NO4/c1-18-13(17)11-7-10(15)8-14(11)12(16)9-5-3-2-4-6-9/h2-6,10-11,15H,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,6,8,12,7,5,10,3,9,18,11,4,2/E:(3,4)(5,6)/rA:18cCOCOCCCCNCOCCCCCCO/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s7;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NO4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:6.24694
Area:421.172
Solvation:-4.28235
Coulombic:-52.8793
Bond Count [?]
All:19
Single:14
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:249.263
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.85
LogP (Chemaxon):0.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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