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Chemical ID: 6485543
Chemical ID:
6485543
Name [?]:
2-[1-(2-methoxyethylcarbamoylmethyl)cyclopentyl]acetic acid
SMILES [?]:
COCCNC(=O)CC1(CCCC1)CC(=O)O
InChi [?]:
InChI=1/C12H21NO4/c1-17-7-6-13-10(14)8-12(9-11(15)16)4-2-3-5-12/h2-9H2,1H3,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,11,12,10,13,4,3,8,14,6,15,9,5,7,16,17,2/E:(2,3)(4,5)(15,16)/rA:17nCOCCNCOCCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s9s12;s9;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H21NO4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.14168 |
Area: | 440.288 |
Solvation: | -3.86551 |
Coulombic: | -53.9282 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 243.299 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.16 |
LogP (Chemaxon): | 0.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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