Chemical ID: 4781306

C1CN(CCC1C(=O)O)CCC(=O)O
Chemical ID:
4781306
Name [?]:
1-(2-carboxyethyl)piperidine-4-carboxylic acid
SMILES [?]:
C1CN(CCC1C(=O)O)CCC(=O)O
InChi [?]:
InChI=1/C9H15NO4/c11-8(12)3-6-10-4-1-7(2-5-10)9(13)14/h7H,1-6H2,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,5,11,2,4,10,6,12,7,3,13,14,8,9/E:(1,2)(4,5)(11,12)(13,14)/rA:14nCCNCCCCOOCCCOO/rB:s1;s2;s3;s4;s1s5;s6;d7;s7;s3;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H15NO4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.3606
Area:377.939
Solvation:-3.08787
Coulombic:-55.9018
Bond Count [?]
All:14
Single:12
Double:2
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:201.22
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:-0.48
LogP (Chemaxon):-3.04

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue