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Chemical ID: 4760193
Chemical ID:
4760193
Name [?]:
2-benzamido-3-hydroxy-propanoic acid
SMILES [?]:
c1ccc(cc1)C(=O)NC(CO)C(=O)O
InChi [?]:
InChI=1/C10H11NO4/c12-6-8(10(14)15)11-9(13)7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,11,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,4,10,7,13,9,12,8,14,15/E:(2,3)(4,5)(14,15)/rA:15cCCCCCCCONCCOCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s10;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.63631 |
Area: | 385.246 |
Solvation: | -3.99484 |
Coulombic: | -65.8704 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 209.199 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.2 |
LogP (Chemaxon): | 0.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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