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Chemical ID: 5249825
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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