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

C10H16N4O4 — CID 64701285

IUPAC3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]butanoic acid
SMILESCc1noc(CNC(=O)NC(C)(C)CC(=O)O)n1
InChIInChI=1S/C10H16N4O4/c1-6-12-7(18-14-6)5-11-9(17)13-10(2,3)4-8(15)16/h4-5H2,1-3H3,(H,15,16)(H2,11,13,17)
InChIKeyODXNXZZDGJCAQZ-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.43
Rot. Bonds5

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

3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]butanoic acid (PubChem CID 64701285) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]butanoic acid
PubChem CID64701285
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]butanoic acid
SMILESCc1noc(CNC(=O)NC(C)(C)CC(=O)O)n1
InChIInChI=1S/C10H16N4O4/c1-6-12-7(18-14-6)5-11-9(17)13-10(2,3)4-8(15)16/h4-5H2,1-3H3,(H,15,16)(H2,11,13,17)
InChIKeyODXNXZZDGJCAQZ-UHFFFAOYSA-N
XLogP0.43
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]butanoic acid (CID 64701285) is 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]butanoic acid is Cc1noc(CNC(=O)NC(C)(C)CC(=O)O)n1.
What is the InChIKey of 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is ODXNXZZDGJCAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-6-12-7(18-14-6)5-11-9(17)13-10(2,3)4-8(15)16/h4-5H2,1-3H3,(H,15,16)(H2,11,13,17).
What are the key properties of 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]butanoic acid?
3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 256.26 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 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 64701285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).