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Chemical ID: 5314438
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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