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Chemical ID: 4781306
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
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Experimental Annotations
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Descriptor Annotations
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