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Chemical ID: 4214869
Chemical ID:
4214869
Name [?]:
2-benzamidopropanoic acid
SMILES [?]:
CC(C(=O)O)NC(=O)c1ccccc1
InChi [?]:
InChI=1/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,12,11,13,10,14,2,9,7,3,6,8,4,5/E:(3,4)(5,6)(13,14)/rA:14cCCCOONCOCCCCCC/rB:s1;s2;d3;s3;s2;s6;d7;s7;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.07773 |
Area: | 371.297 |
Solvation: | -2.20469 |
Coulombic: | -50.1987 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 193.199 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.34 |
LogP (Chemaxon): | 1.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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