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Chemical ID: 4520355
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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