Chemical ID: 5836666

C1CN(CC(=O)N1)C(=O)CCC(=O)O
Chemical ID:
5836666
Name [?]:
4-oxo-4-(3-oxopiperazin-1-yl)-butanoic acid
SMILES [?]:
C1CN(CC(=O)N1)C(=O)CCC(=O)O
InChi [?]:
InChI=1/C8H12N2O4/c11-6-5-10(4-3-9-6)7(12)1-2-8(13)14/h1-5H2,(H,9,11)(H,13,14)
InChi Info:
AuxInfo=1/1/N:10,11,1,2,4,5,8,12,7,3,6,9,13,14/E:(13,14)/rA:14nCCNCCONCOCCCOO/rB:s1;s2;s3;s4;d5;s1s5;s3;d8;s8;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H12N2O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.48005
Area:371.251
Solvation:-3.80123
Coulombic:-60.2288
Bond Count [?]
All:14
Single:11
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:200.192
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:-1.82
LogP (Chemaxon):-2.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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