ChemDB: Chemical Search
Download
Chemical ID: 7123077
Chemical ID:
7123077
Name [?]:
4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-butanoate
SMILES [?]:
C1CC(N(C1)C(=O)CCC(=O)[O-])C(=O)N
InChi [?]:
InChI=1/C9H14N2O4/c10-9(15)6-2-1-5-11(6)7(12)3-4-8(13)14/h6H,1-5H2,(H2,10,15)(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,8,9,5,3,6,10,13,15,4,7,11,12,14/E:(13,14)/rA:15cCCCNCCOCCCOO-CON/rB:s1;s2;s3;s1s4;s4;d6;s6;s8;s9;d10;s10;s3;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13N2O4- |
All Atoms: | 28 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -36.8024 |
Area: | 384.976 |
Solvation: | -46.4268 |
Coulombic: | -36.8859 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 213.211 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -2.0 |
LogP (Chemaxon): | -1.55 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|