Chemical ID: 6048576

CC(C)(C)OC(=O)NC1CCNC1
Chemical ID:
6048576
Name [?]:
tert-butyl pyrrolidin-3-ylaminoformate
SMILES [?]:
CC(C)(C)OC(=O)NC1CCNC1
InChi [?]:
InChI=1/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-5-10-6-7/h7,10H,4-6H2,1-3H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,11,13,9,6,2,12,8,7,5/E:(1,2,3)/rA:13cCCCCOCONCCCNC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s9s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H18N2O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:7.54266
Area:364.814
Solvation:-1.57769
Coulombic:-42.394
Bond Count [?]
All:13
Single:12
Double:1
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:186.251
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.98
LogP (Chemaxon):-0.37

Name Annotations

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Descriptor Annotations

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