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

C10H15N3O3 — CID 126832241

IUPAC1-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclopentane-1-carboxylic acid
SMILESCc1nonc1CNC1(C(=O)O)CCCC1
InChIInChI=1S/C10H15N3O3/c1-7-8(13-16-12-7)6-11-10(9(14)15)4-2-3-5-10/h11H,2-6H2,1H3,(H,14,15)
InChIKeyNPMIEFGEQWOVNY-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.87
Rot. Bonds4

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

1-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclopentane-1-carboxylic acid (PubChem CID 126832241) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclopentane-1-carboxylic acid
PubChem CID126832241
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclopentane-1-carboxylic acid
SMILESCc1nonc1CNC1(C(=O)O)CCCC1
InChIInChI=1S/C10H15N3O3/c1-7-8(13-16-12-7)6-11-10(9(14)15)4-2-3-5-10/h11H,2-6H2,1H3,(H,14,15)
InChIKeyNPMIEFGEQWOVNY-UHFFFAOYSA-N
XLogP0.87
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclopentane-1-carboxylic acid (CID 126832241) is 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclopentane-1-carboxylic acid is Cc1nonc1CNC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclopentane-1-carboxylic acid?
The InChIKey is NPMIEFGEQWOVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-8(13-16-12-7)6-11-10(9(14)15)4-2-3-5-10/h11H,2-6H2,1H3,(H,14,15).
What are the key properties of 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclopentane-1-carboxylic acid?
1-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclopentane-1-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 126832241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).