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Chemical ID: 4994759
Chemical ID:
4994759
Name [?]:
3-[4-(2-carboxyethyl)piperazin-1-yl]propanoic acid
SMILES [?]:
C1CN(CCN1CCC(=O)O)CCC(=O)O
InChi [?]:
InChI=1/C10H18N2O4/c13-9(14)1-3-11-5-7-12(8-6-11)4-2-10(15)16/h1-8H2,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:8,13,7,12,1,5,2,4,9,14,6,3,10,11,15,16/E:(1,2)(3,4)(5,6,7,8)(9,10)(11,12)(13,14,15,16)/gE:(1,2)/rA:16nCCNCCNCCCOOCCCOO/rB:s1;s2;s3;s4;s1s5;s6;s7;s8;d9;s9;s3;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H18N2O4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.23136 |
Area: | 426.769 |
Solvation: | -3.43787 |
Coulombic: | -60.1988 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 230.261 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -1.21 |
LogP (Chemaxon): | -3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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