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Chemical ID: 5194994
Chemical ID:
5194994
Name [?]:
2-[1-(3-hydroxypropylcarbamoylmethyl)cyclopentyl]acetic acid
SMILES [?]:
C1CCC(C1)(CC(=O)NCCCO)CC(=O)O
InChi [?]:
InChI=1/C12H21NO4/c14-7-3-6-13-10(15)8-12(9-11(16)17)4-1-2-5-12/h14H,1-9H2,(H,13,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,11,5,3,10,12,6,14,7,15,4,9,13,8,16,17/E:(1,2)(4,5)(16,17)/rA:17nCCCCCCCONCCCOCCOO/rB:s1;s2;s3;s1s4;s4;s6;d7;s7;s9;s10;s11;s12;s4;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H21NO4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.49646 |
Area: | 441.524 |
Solvation: | -3.54164 |
Coulombic: | -62.8095 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 243.299 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.0 |
LogP (Chemaxon): | 0.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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