Chemical ID: 5871587

CC(C)(C)OC(=O)NC(CC(=O)O)c1cccc(c1)Cl
Chemical ID:
5871587
Name [?]:
3-(3-chlorophenyl)-3-tert-butoxycarbonylamino-propanoic acid
SMILES [?]:
CC(C)(C)OC(=O)NC(CC(=O)O)c1cccc(c1)Cl
InChi [?]:
InChI=1/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,16,15,17,19,10,14,18,9,11,6,2,20,8,12,13,7,5/E:(1,2,3)(17,18)/rA:20cCCCCOCONCCCOOCCCCCCCl/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s11;s9;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18ClNO4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.41387
Area:500.814
Solvation:-3.10648
Coulombic:-60.3769
Bond Count [?]
All:20
Single:15
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:299.75
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.16
LogP (Chemaxon):2.76

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