Chemical ID: 6510298

CC(C(C(=O)O)NC(=O)c1ccccc1)O
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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Descriptor Annotations

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