Chemical ID: 4668641

CC(C)(C)OC(=O)NC(C(=O)O)n1c2ccccc2nn1
Chemical ID:
4668641
Name [?]:
2-benzotriazol-1-yl-2-tert-butoxycarbonylamino-acetic acid
SMILES [?]:
CC(C)(C)OC(=O)NC(C(=O)O)n1c2ccccc2nn1
InChi [?]:
InChI=1/C13H16N4O4/c1-13(2,3)21-12(20)14-10(11(18)19)17-9-7-5-4-6-8(9)15-16-17/h4-7,10H,1-3H3,(H,14,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,4,17,16,18,15,19,14,9,10,6,2,8,20,21,13,11,12,7,5/E:(1,2,3)(18,19)/rA:21cCCCCOCONCCOONCCCCCCNN/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s10;s9;s13;s14;d15;s16;d17;d14s18;s19;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N4O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.82989
Area:480.748
Solvation:-3.18882
Coulombic:-66.573
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:292.291
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.54
LogP (Chemaxon):2.0

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