Chemical ID: 7089242

CCOC(=O)c1c(c(cn1C)NC(=O)OCc2ccccc2)O
Chemical ID:
7089242
Name [?]:
ethyl 4-benzyloxycarbonylamino-3-hydroxy-1-methyl-pyrrole-2-carboxylate
SMILES [?]:
CCOC(=O)c1c(c(cn1C)NC(=O)OCc2ccccc2)O
InChi [?]:
InChI=1/C16H18N2O5/c1-3-22-15(20)13-14(19)12(9-18(13)2)17-16(21)23-10-11-7-5-4-6-8-11/h4-9,19H,3,10H2,1-2H3,(H,17,21)
InChi Info:
AuxInfo=1/1/N:1,11,2,20,19,21,18,22,9,16,17,8,6,7,4,13,12,10,23,5,14,3,15/E:(5,6)(7,8)/rA:23nCCOCOCCCCNCNCOOCCCCCCCO/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s10;s8;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18N2O5
All Atoms:41
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.1604
Area:538.631
Solvation:-3.30537
Coulombic:-77.9059
Bond Count [?]
All:24
Single:17
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:318.325
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.52
LogP (Chemaxon):3.05

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Descriptor Annotations

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