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Chemical ID: 6485559
Chemical ID:
6485559
Name [?]:
2-[1-(methylcarbamoylmethyl)cyclopentyl]acetic acid
SMILES [?]:
CNC(=O)CC1(CCCC1)CC(=O)O
InChi [?]:
InChI=1/C10H17NO3/c1-11-8(12)6-10(7-9(13)14)4-2-3-5-10/h2-7H2,1H3,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,8,9,7,10,5,11,3,12,6,2,4,13,14/E:(2,3)(4,5)(13,14)/rA:14nCNCOCCCCCCCCOO/rB:s1;s2;d3;s3;s5;s6;s7;s8;s6s9;s6;s11;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H17NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.97919 |
Area: | 367.075 |
Solvation: | -2.19768 |
Coulombic: | -46.4591 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 199.247 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.35 |
LogP (Chemaxon): | 0.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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