Chemical ID: 6485543

COCCNC(=O)CC1(CCCC1)CC(=O)O
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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Descriptor Annotations

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