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Chemical ID: 3967718
Chemical ID:
3967718
Name [?]:
1-(3-carboxypropanoyl)pyrrolidine-2-carboxylic acid
SMILES [?]:
C1CC(N(C1)C(=O)CCC(=O)O)C(=O)O
InChi [?]:
InChI=1/C9H13NO5/c11-7(3-4-8(12)13)10-5-1-2-6(10)9(14)15/h6H,1-5H2,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,8,9,5,3,6,10,13,4,7,11,12,14,15/E:(12,13)(14,15)/rA:15cCCCNCCOCCCOOCOO/rB:s1;s2;s3;s1s4;s4;d6;s6;s8;s9;d10;s10;s3;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13NO5 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.64552 |
Area: | 386.634 |
Solvation: | -4.02034 |
Coulombic: | -66.3469 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 215.203 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -0.79 |
LogP (Chemaxon): | -0.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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