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Chemical ID: 7245396
Chemical ID:
7245396
Name [?]:
1-(cyclopropylcarbamoylmethyl)cyclopentane-1-carboxylic acid
SMILES [?]:
C1CCC(C1)(CC(=O)NC2CC2)C(=O)O
InChi [?]:
InChI=1/C11H17NO3/c13-9(12-8-3-4-8)7-11(10(14)15)5-1-2-6-11/h8H,1-7H2,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,11,12,5,3,6,10,7,13,4,9,8,14,15/E:(1,2)(3,4)(5,6)(14,15)/rA:15nCCCCCCCONCCCCOO/rB:s1;s2;s3;s1s4;s4;s6;d7;s7;s9;s10;s10s11;s4;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17NO3 |
All Atoms: | 32 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.75164 |
Area: | 388.947 |
Solvation: | -2.97204 |
Coulombic: | -45.7921 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 211.258 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.92 |
LogP (Chemaxon): | 0.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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