Chemical ID: 5271538

CC(c1ccccc1)NC(=O)NC(C)C(=O)OC
Chemical ID:
5271538
Name [?]:
methyl 2-(1-phenylethylcarbamoylamino)propanoate
SMILES [?]:
CC(c1ccccc1)NC(=O)NC(C)C(=O)OC
InChi [?]:
InChI=1/C13H18N2O3/c1-9(11-7-5-4-6-8-11)14-13(17)15-10(2)12(16)18-3/h4-10H,1-3H3,(H2,14,15,17)
InChi Info:
AuxInfo=1/1/N:1,14,18,6,5,7,4,8,2,13,3,15,10,9,12,16,11,17/E:(5,6)(7,8)/rA:18cCCCCCCCCNCONCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;s13;d15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:9.15067
Area:465.057
Solvation:-2.47575
Coulombic:-55.5962
Bond Count [?]
All:18
Single:13
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:250.294
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.82
LogP (Chemaxon):1.49

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Descriptor Annotations

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