Chemical ID: 3965341

CC(C(=O)NC(Cc1ccccc1)C(=O)O)N
Chemical ID:
3965341
Name [?]:
2-(2-aminopropanoylamino)-3-phenyl-propanoic acid
SMILES [?]:
CC(C(=O)NC(Cc1ccccc1)C(=O)O)N
InChi [?]:
InChI=1/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,11,10,12,9,13,7,2,8,6,3,14,17,5,4,15,16/E:(3,4)(5,6)(16,17)/rA:17cCCCONCCCCCCCCCOON/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s6;d14;s14;s2;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:7.06248
Area:426.78
Solvation:-3.60703
Coulombic:-60.6406
Bond Count [?]
All:17
Single:12
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:236.267
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:0.49
LogP (Chemaxon):-2.0

Name Annotations

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Descriptor Annotations

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