Chemical ID: 6214954

CCCOc1ccc(cc1)C(=O)NC(C)C(=O)O
Chemical ID:
6214954
Name [?]:
2-(4-propoxybenzoyl)aminopropanoic acid
SMILES [?]:
CCCOc1ccc(cc1)C(=O)NC(C)C(=O)O
InChi [?]:
InChI=1/C13H17NO4/c1-3-8-18-11-6-4-10(5-7-11)12(15)14-9(2)13(16)17/h4-7,9H,3,8H2,1-2H3,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,15,2,7,9,6,10,3,14,8,5,11,16,13,12,17,18,4/E:(4,5)(6,7)(16,17)/rA:18cCCCOCCCCCCCONCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.16574
Area:464.792
Solvation:-3.45405
Coulombic:-56.9171
Bond Count [?]
All:18
Single:13
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:251.278
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.03
LogP (Chemaxon):1.58

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Descriptor Annotations

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