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Chemical ID: 6636928
Chemical ID:
6636928
Name [?]:
methyl 3-hydroxy-2-(2-phenoxyacetyl)amino-propanoate
SMILES [?]:
COC(=O)C(CO)NC(=O)COc1ccccc1
InChi [?]:
InChI=1/C12H15NO5/c1-17-12(16)10(7-14)13-11(15)8-18-9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,6,11,13,5,9,3,8,7,10,4,2,12/E:(3,4)(5,6)/rA:18cCOCOCCONCOCOCCCCCC/rB:s1;s2;d3;s3;s5;s6;s5;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15NO5 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.94945 |
Area: | 459.592 |
Solvation: | -5.54036 |
Coulombic: | -64.4556 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 253.251 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.21 |
LogP (Chemaxon): | 0.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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