Chemical ID: 4994759

C1CN(CCN1CCC(=O)O)CCC(=O)O
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

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Descriptor Annotations

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