Chemical ID: 5314438

CCC(C)NC(=O)C1CCCN1C(=O)OC(C)(C)C
Chemical ID:
5314438
Name [?]:
tert-butyl 2-(sec-butylcarbamoyl)pyrrolidine-1-carboxylate
SMILES [?]:
CCC(C)NC(=O)C1CCCN1C(=O)OC(C)(C)C
InChi [?]:
InChI=1/C14H26N2O3/c1-6-10(2)15-12(17)11-8-7-9-16(11)13(18)19-14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,4,17,18,19,2,10,9,11,3,8,6,13,16,5,12,7,14,15/E:(3,4,5)/rA:19cCCCCNCOCCCCNCOOCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s8s11;s12;d13;s13;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H26N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:9.12761
Area:475.83
Solvation:-2.76815
Coulombic:-50.491
Bond Count [?]
All:19
Single:17
Double:2
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:270.368
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.35
LogP (Chemaxon):1.59

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