Chemical ID: 5249825

CC(C(=O)O)NC(=O)c1ccc(cc1)N
Chemical ID:
5249825
Name [?]:
2-(4-aminobenzoyl)aminopropanoic acid
SMILES [?]:
CC(C(=O)O)NC(=O)c1ccc(cc1)N
InChi [?]:
InChI=1/C10H12N2O3/c1-6(10(14)15)12-9(13)7-2-4-8(11)5-3-7/h2-6H,11H2,1H3,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,10,14,11,13,2,9,12,7,3,15,6,8,4,5/E:(2,3)(4,5)(14,15)/rA:15cCCCOONCOCCCCCCN/rB:s1;s2;d3;s3;s2;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N2O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.23149
Area:389.601
Solvation:-2.50853
Coulombic:-65.4691
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:208.214
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:0.52
LogP (Chemaxon):-0.44

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Descriptor Annotations

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