1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C13H19N3O4 — CID 106414658

IUPAC1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCc1nc(CCNC(=O)CC2(C(=O)O)CCCC2)no1
InChIInChI=1S/C13H19N3O4/c1-9-15-10(16-20-9)4-7-14-11(17)8-13(12(18)19)5-2-3-6-13/h2-8H2,1H3,(H,14,17)(H,18,19)
InChIKeyVWXVQFPDUKJTID-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.07
Rot. Bonds6

About 1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 106414658) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID106414658
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCc1nc(CCNC(=O)CC2(C(=O)O)CCCC2)no1
InChIInChI=1S/C13H19N3O4/c1-9-15-10(16-20-9)4-7-14-11(17)8-13(12(18)19)5-2-3-6-13/h2-8H2,1H3,(H,14,17)(H,18,19)
InChIKeyVWXVQFPDUKJTID-UHFFFAOYSA-N
XLogP1.07
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106414642
1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106394720
1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 106394710
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943037
1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298
1-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529270
1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402208
1-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119326934
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 106416150
1-[2-(butylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529487
1-[2-oxo-2-(2-propan-2-yloxyethylamino)ethyl]cyclopentane-1-carboxylic acid
CID 113449940
1-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 60941221

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 106414658) is 1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is Cc1nc(CCNC(=O)CC2(C(=O)O)CCCC2)no1.
What is the InChIKey of 1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is VWXVQFPDUKJTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9-15-10(16-20-9)4-7-14-11(17)8-13(12(18)19)5-2-3-6-13/h2-8H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106414658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).