Chemical ID: 7228161

CC(C(=O)NC(Cc1ccccc1)C(=O)O)[NH3+]
Chemical ID:
7228161
Name [?]:
1-[(1-carboxy-2-phenyl-ethyl)carbamoyl]ethylammonium
SMILES [?]:
CC(C(=O)NC(Cc1ccccc1)C(=O)O)[NH3+]
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)/p+1
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:C12H17N2O3+
All Atoms:34
Heavy Atoms:17
Chiral Atoms:None
ZAP Information [?]
Total:-30.2266
Area:426.857
Solvation:-40.898
Coulombic:-4.69435
Bond Count [?]
All:17
Single:12
Double:5
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.49
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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