Chemical ID: 4465636

Cc1cccc(c1)C(=O)NC(C)C(=O)OC
Chemical ID:
4465636
Name [?]:
methyl 2-(3-methylbenzoyl)aminopropanoate
SMILES [?]:
Cc1cccc(c1)C(=O)NC(C)C(=O)OC
InChi [?]:
InChI=1/C12H15NO3/c1-8-5-4-6-10(7-8)11(14)13-9(2)12(15)16-3/h4-7,9H,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,12,16,4,3,5,7,2,11,6,8,13,10,9,14,15/rA:16cCCCCCCCCONCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s11;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:8.23505
Area:419.807
Solvation:-2.26013
Coulombic:-42.2024
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:221.252
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.09
LogP (Chemaxon):1.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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