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Chemical ID: 6510298
Chemical ID:
6510298
Name [?]:
2-benzamido-3-hydroxy-butanoic acid
SMILES [?]:
CC(C(C(=O)O)NC(=O)c1ccccc1)O
InChi [?]:
InChI=1/C11H13NO4/c1-7(13)9(11(15)16)12-10(14)8-5-3-2-4-6-8/h2-7,9,13H,1H3,(H,12,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,11,15,2,10,3,8,4,7,16,9,5,6/E:(3,4)(5,6)(15,16)/rA:16cCCCCOONCOCCCCCCO/rB:s1;s2;s3;d4;s4;s3;s7;d8;s8;s10;d11;s12;d13;d10s14;s2;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.54833 |
Area: | 399.893 |
Solvation: | -3.44898 |
Coulombic: | -66.6204 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 223.225 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.66 |
LogP (Chemaxon): | 0.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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