Chemical ID: 4759774

CC(C(C(=O)OC)NC(=O)OCc1ccccc1)O
Chemical ID:
4759774
Name [?]:
methyl 2-benzyloxycarbonylamino-3-hydroxy-butanoate
SMILES [?]:
CC(C(C(=O)OC)NC(=O)OCc1ccccc1)O
InChi [?]:
InChI=1/C13H17NO5/c1-9(15)11(12(16)18-2)14-13(17)19-8-10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3,(H,14,17)
InChi Info:
AuxInfo=1/1/N:1,7,16,15,17,14,18,12,2,13,3,4,9,8,19,5,10,6,11/E:(4,5)(6,7)/rA:19cCCCCOOCNCOOCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s3;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s2;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO5
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:8.4517
Area:473.276
Solvation:-3.38019
Coulombic:-71.1624
Bond Count [?]
All:19
Single:14
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:267.278
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.15
LogP (Chemaxon):1.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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