Chemical ID: 4674827

COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)[NH3+]
Chemical ID:
4674827
Name [?]:
[2-carboxy-1-[(1-methoxycarbonyl-2-phenyl-ethyl)carbamoyl]ethyl]ammonium
SMILES [?]:
COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)[NH3+]
InChi [?]:
InChI=1/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/p+1
InChi Info:
AuxInfo=1/1/N:1,10,9,11,8,12,6,17,7,16,5,18,14,3,21,13,19,20,15,4,2/E:(3,4)(5,6)(17,18)/rA:21cCOCOCCCCCCCCNCOCCCOON+/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s5;s13;d14;s14;s16;s17;d18;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19N2O5+
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:-28.1419
Area:505.175
Solvation:-40.7713
Coulombic:-20.731
Bond Count [?]
All:21
Single:15
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:295.311
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:-0.08
LogP (Chemaxon):-2.27

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