Chemical ID: 4956942

CC(c1ccccc1)(C(=O)O)NC(=O)OCc2ccccc2
Chemical ID:
4956942
Name [?]:
2-benzyloxycarbonylamino-2-phenyl-propanoic acid
SMILES [?]:
CC(c1ccccc1)(C(=O)O)NC(=O)OCc2ccccc2
InChi [?]:
InChI=1/C17H17NO4/c1-17(15(19)20,14-10-6-3-7-11-14)18-16(21)22-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,21)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,6,19,21,5,7,18,22,4,8,16,17,3,9,13,2,12,10,11,14,15/E:(4,5)(6,7)(8,9)(10,11)(19,20)/rA:22cCCCCCCCCCOONCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;d9;s9;s2;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.74131
Area:504.73
Solvation:-2.87694
Coulombic:-64.5701
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:299.321
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.06
LogP (Chemaxon):3.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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