Chemical ID: 5645966

CC(Cc1ccccc1)NC(=O)CCC(=O)O
Chemical ID:
5645966
Name [?]:
4-(1-methyl-2-phenyl-ethyl)amino-4-oxo-butanoic acid
SMILES [?]:
CC(Cc1ccccc1)NC(=O)CCC(=O)O
InChi [?]:
InChI=1/C13H17NO3/c1-10(9-11-5-3-2-4-6-11)14-12(15)7-8-13(16)17/h2-6,10H,7-9H2,1H3,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,7,6,8,5,9,13,14,3,2,4,11,15,10,12,16,17/E:(3,4)(5,6)(16,17)/rA:17cCCCCCCCCCNCOCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;s10;d11;s11;s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.19008
Area:443.484
Solvation:-2.89702
Coulombic:-46.598
Bond Count [?]
All:17
Single:12
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:235.279
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.41
LogP (Chemaxon):1.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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