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

C13H22N4O4 — CID 106402751

IUPAC4,4-dimethyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid
SMILESCc1nc(CNC(=O)NCC(CC(C)(C)C)C(=O)O)no1
InChIInChI=1S/C13H22N4O4/c1-8-16-10(17-21-8)7-15-12(20)14-6-9(11(18)19)5-13(2,3)4/h9H,5-7H2,1-4H3,(H,18,19)(H2,14,15,20)
InChIKeyRLHQJVZWCYHWLO-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.31
Rot. Bonds6

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

4,4-dimethyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid (PubChem CID 106402751) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid
PubChem CID106402751
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name4,4-dimethyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid
SMILESCc1nc(CNC(=O)NCC(CC(C)(C)C)C(=O)O)no1
InChIInChI=1S/C13H22N4O4/c1-8-16-10(17-21-8)7-15-12(20)14-6-9(11(18)19)5-13(2,3)4/h9H,5-7H2,1-4H3,(H,18,19)(H2,14,15,20)
InChIKeyRLHQJVZWCYHWLO-UHFFFAOYSA-N
XLogP1.31
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid (CID 106402751) is 4,4-dimethyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid is Cc1nc(CNC(=O)NCC(CC(C)(C)C)C(=O)O)no1.
What is the InChIKey of 4,4-dimethyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid?
The InChIKey is RLHQJVZWCYHWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-8-16-10(17-21-8)7-15-12(20)14-6-9(11(18)19)5-13(2,3)4/h9H,5-7H2,1-4H3,(H,18,19)(H2,14,15,20).
What are the key properties of 4,4-dimethyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid?
4,4-dimethyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid has a molecular weight of 298.34 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 106402751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).