1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid

C13H19N3O4 — CID 106394720

IUPAC1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCC1)NCCc1ncon1
InChIInChI=1S/C13H19N3O4/c17-11(14-7-4-10-15-9-20-16-10)8-13(12(18)19)5-2-1-3-6-13/h9H,1-8H2,(H,14,17)(H,18,19)
InChIKeyIZPMPGFKKSAKGY-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.15
Rot. Bonds6

About 1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 106394720) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID106394720
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCC1)NCCc1ncon1
InChIInChI=1S/C13H19N3O4/c17-11(14-7-4-10-15-9-20-16-10)8-13(12(18)19)5-2-1-3-6-13/h9H,1-8H2,(H,14,17)(H,18,19)
InChIKeyIZPMPGFKKSAKGY-UHFFFAOYSA-N
XLogP1.15
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 106394710
1-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106404307
1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106414642
1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 106414658
1-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid
CID 64545613
1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid
CID 63831519
1-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 106397615
1-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 60941221
2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106404494
3-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidine-3-carboxamide
CID 106397914
4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide
CID 114183639
1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 106394720) is 1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCCC1)NCCc1ncon1.
What is the InChIKey of 1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is IZPMPGFKKSAKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c17-11(14-7-4-10-15-9-20-16-10)8-13(12(18)19)5-2-1-3-6-13/h9H,1-8H2,(H,14,17)(H,18,19).
What are the key properties of 1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106394720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).