Chemical ID: 6485544

C=CCNC(=O)CC1(CCCC1)CC(=O)O
Chemical ID:
6485544
Name [?]:
2-[1-(allylcarbamoylmethyl)cyclopentyl]acetic acid
SMILES [?]:
C=CCNC(=O)CC1(CCCC1)CC(=O)O
InChi [?]:
InChI=1/C12H19NO3/c1-2-7-13-10(14)8-12(9-11(15)16)5-3-4-6-12/h2H,1,3-9H2,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,10,11,9,12,3,7,13,5,14,8,4,6,15,16/E:(3,4)(5,6)(15,16)/rA:16nCCCNCOCCCCCCCCOO/rB:d1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s8s11;s8;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.2407
Area:417.081
Solvation:-2.18632
Coulombic:-48.2808
Bond Count [?]
All:16
Single:13
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:225.284
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.97
LogP (Chemaxon):1.19

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Descriptor Annotations

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