1-methyl-2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C11H15N3O4 — CID 82760116

IUPAC1-methyl-2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1nc(C(=O)NC2CCCC2(C)C(=O)O)no1
InChIInChI=1S/C11H15N3O4/c1-6-12-8(14-18-6)9(15)13-7-4-3-5-11(7,2)10(16)17/h7H,3-5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyOIVCOCQESFMUTA-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.75
Rot. Bonds3

About 1-methyl-2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid

1-methyl-2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 82760116) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-methyl-2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID82760116
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1-methyl-2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1nc(C(=O)NC2CCCC2(C)C(=O)O)no1
InChIInChI=1S/C11H15N3O4/c1-6-12-8(14-18-6)9(15)13-7-4-3-5-11(7,2)10(16)17/h7H,3-5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyOIVCOCQESFMUTA-UHFFFAOYSA-N
XLogP0.75
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 82760116) is 1-methyl-2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1nc(C(=O)NC2CCCC2(C)C(=O)O)no1.
What is the InChIKey of 1-methyl-2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is OIVCOCQESFMUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6-12-8(14-18-6)9(15)13-7-4-3-5-11(7,2)10(16)17/h7H,3-5H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 1-methyl-2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-methyl-2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82760116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).