Chemical ID: 7086770

CC(C)(C)OC(=O)NC(CC1CC1)C(=O)O
Chemical ID:
7086770
Name [?]:
3-cyclopropyl-2-tert-butoxycarbonylamino-propanoic acid
SMILES [?]:
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)O
InChi [?]:
InChI=1/C11H19NO4/c1-11(2,3)16-10(15)12-8(9(13)14)6-7-4-5-7/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,13,10,11,9,14,6,2,8,15,16,7,5/E:(1,2,3)(4,5)(13,14)/rA:16cCCCCOCONCCCCCCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s11s12;s9;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H19NO4
All Atoms:35
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:8.35258
Area:428.622
Solvation:-2.36298
Coulombic:-60.7203
Bond Count [?]
All:16
Single:14
Double:2
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:229.273
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.18
LogP (Chemaxon):1.44

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