Chemical ID: 4260293

CC(C)CC(C(=O)O)NC(=O)OCc1ccccc1
Chemical ID:
4260293
Name [?]:
2-benzyloxycarbonylamino-4-methyl-pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(=O)OCc1ccccc1
InChi [?]:
InChI=1/C14H19NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,17,16,18,15,19,4,13,2,14,5,6,10,9,7,8,11,12/E:(1,2)(4,5)(6,7)(16,17)/rA:19cCCCCCCOONCOOCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:9.34183
Area:486.491
Solvation:-2.82045
Coulombic:-62.494
Bond Count [?]
All:19
Single:14
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:265.305
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.93
LogP (Chemaxon):2.89

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