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Chemical ID: 5498990
Chemical ID:
5498990
Name [?]:
1-(2-carbamoylethyl)pyrrolidine-2-carboxamide
SMILES [?]:
C1CC(N(C1)CCC(=O)N)C(=O)N
InChi [?]:
InChI=1/C8H15N3O2/c9-7(12)3-5-11-4-1-2-6(11)8(10)13/h6H,1-5H2,(H2,9,12)(H2,10,13)
InChi Info:
AuxInfo=1/1/N:1,2,7,5,6,3,8,11,10,13,4,9,12/rA:13cCCCNCCCCONCON/rB:s1;s2;s3;s1s4;s4;s6;s7;d8;s8;s3;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H15N3O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.55326 |
Area: | 349.444 |
Solvation: | -3.18285 |
Coulombic: | -54.0652 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 185.224 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | -1.86 |
LogP (Chemaxon): | -1.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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