1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid

C11H16N4O4 — CID 106402668

IUPAC1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCc1nc(CNC(=O)NCC2(C(=O)O)CCC2)no1
InChIInChI=1S/C11H16N4O4/c1-7-14-8(15-19-7)5-12-10(18)13-6-11(9(16)17)3-2-4-11/h2-6H2,1H3,(H,16,17)(H2,12,13,18)
InChIKeyOXEZXHAOYVVQQX-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.43
Rot. Bonds5

About 1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid

1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 106402668) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID106402668
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCc1nc(CNC(=O)NCC2(C(=O)O)CCC2)no1
InChIInChI=1S/C11H16N4O4/c1-7-14-8(15-19-7)5-12-10(18)13-6-11(9(16)17)3-2-4-11/h2-6H2,1H3,(H,16,17)(H2,12,13,18)
InChIKeyOXEZXHAOYVVQQX-UHFFFAOYSA-N
XLogP0.43
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid (CID 106402668) is 1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid is Cc1nc(CNC(=O)NCC2(C(=O)O)CCC2)no1.
What is the InChIKey of 1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is OXEZXHAOYVVQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-7-14-8(15-19-7)5-12-10(18)13-6-11(9(16)17)3-2-4-11/h2-6H2,1H3,(H,16,17)(H2,12,13,18).
What are the key properties of 1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 106402668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).