Chemical ID: 4520355

COC(=O)c1ccccc1NC(=O)CCCC(=O)O
Chemical ID:
4520355
Name [?]:
5-(2-methoxycarbonylphenyl)amino-5-oxo-pentanoic acid
SMILES [?]:
COC(=O)c1ccccc1NC(=O)CCCC(=O)O
InChi [?]:
InChI=1/C13H15NO5/c1-19-13(18)9-5-2-3-6-10(9)14-11(15)7-4-8-12(16)17/h2-3,5-6H,4,7-8H2,1H3,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,7,8,15,6,9,14,16,5,10,12,17,3,11,13,18,19,4,2/E:(16,17)/rA:19nCOCOCCCCCCNCOCCCCOO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NO5
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.82935
Area:471.163
Solvation:-3.94971
Coulombic:-64.823
Bond Count [?]
All:19
Single:13
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:265.262
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.37
LogP (Chemaxon):1.76

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