3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid

C14H22N4O4 — CID 122004494

IUPAC3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NCCC(=O)O)c1nc(C2CCCCC2)no1
InChIInChI=1S/C14H22N4O4/c1-9(16-14(21)15-8-7-11(19)20)13-17-12(18-22-13)10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,19,20)(H2,15,16,21)
InChIKeyLTACUYOKNFSWMH-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.95
Rot. Bonds6

About 3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid

3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid (PubChem CID 122004494) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
PubChem CID122004494
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NCCC(=O)O)c1nc(C2CCCCC2)no1
InChIInChI=1S/C14H22N4O4/c1-9(16-14(21)15-8-7-11(19)20)13-17-12(18-22-13)10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,19,20)(H2,15,16,21)
InChIKeyLTACUYOKNFSWMH-UHFFFAOYSA-N
XLogP1.95
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid (CID 122004494) is 3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid is CC(NC(=O)NCCC(=O)O)c1nc(C2CCCCC2)no1.
What is the InChIKey of 3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid?
The InChIKey is LTACUYOKNFSWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-9(16-14(21)15-8-7-11(19)20)13-17-12(18-22-13)10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,19,20)(H2,15,16,21).
What are the key properties of 3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid?
3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid has a molecular weight of 310.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 122004494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).