Chemical ID: 6636928

COC(=O)C(CO)NC(=O)COc1ccccc1
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

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Descriptor Annotations

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