Chemical ID: 4270904

c1cc(ccc1C(=O)O)NC(=O)CCC(=O)O
Chemical ID:
4270904
Name [?]:
4-(3-carboxypropanoylamino)benzoic acid
SMILES [?]:
c1cc(ccc1C(=O)O)NC(=O)CCC(=O)O
InChi [?]:
InChI=1/C11H11NO5/c13-9(5-6-10(14)15)12-8-3-1-7(2-4-8)11(16)17/h1-4H,5-6H2,(H,12,13)(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,13,14,6,3,11,15,7,10,12,16,17,8,9/E:(1,2)(3,4)(14,15)(16,17)/rA:17nCCCCCCCOONCOCCCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;d11;s11;s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO5
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.07866
Area:429.545
Solvation:-3.65995
Coulombic:-71.8893
Bond Count [?]
All:17
Single:11
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:237.209
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:0.26
LogP (Chemaxon):0.68

Name Annotations

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Descriptor Annotations

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