Chemical ID: 7087149

c1ccc(cc1)COC(=O)N2CCCC2CN
Chemical ID:
7087149
Name [?]:
benzyl 2-(aminomethyl)pyrrolidine-1-carboxylate
SMILES [?]:
c1ccc(cc1)COC(=O)N2CCCC2CN
InChi [?]:
InChI=1/C13H18N2O2/c14-9-12-7-4-8-15(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,3,5,14,12,16,7,4,15,9,17,11,10,8/E:(2,3)(5,6)/rA:17cCCCCCCCOCONCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s11s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2O2
All Atoms:35
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.217
Area:424.524
Solvation:-2.3961
Coulombic:-41.9228
Bond Count [?]
All:18
Single:14
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:234.294
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.5
LogP (Chemaxon):1.47

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue