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

C9H15N3O3 — CID 106401677

IUPAC5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
SMILESCc1nc(CNCCCCC(=O)O)no1
InChIInChI=1S/C9H15N3O3/c1-7-11-8(12-15-7)6-10-5-3-2-4-9(13)14/h10H,2-6H2,1H3,(H,13,14)
InChIKeyILGSFPGPJOWNQY-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.72
Rot. Bonds7

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

5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid (PubChem CID 106401677) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
PubChem CID106401677
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
SMILESCc1nc(CNCCCCC(=O)O)no1
InChIInChI=1S/C9H15N3O3/c1-7-11-8(12-15-7)6-10-5-3-2-4-9(13)14/h10H,2-6H2,1H3,(H,13,14)
InChIKeyILGSFPGPJOWNQY-UHFFFAOYSA-N
XLogP0.72
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106415961
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate
CID 107911873
4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]butanoic acid
CID 114185894
(E)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]but-2-enoic acid
CID 106401708
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 113225005
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol
CID 107911665
N-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 106398495
2-[5-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 114182789
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid
CID 106402767
3,3,3-trifluoro-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]propanoic acid
CID 106401625
6-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylhexanoic acid
CID 65287300

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid?
The IUPAC name of 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid (CID 106401677) is 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid.
What is the SMILES notation for 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid?
The canonical SMILES for 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid is Cc1nc(CNCCCCC(=O)O)no1.
What is the InChIKey of 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid?
The InChIKey is ILGSFPGPJOWNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-7-11-8(12-15-7)6-10-5-3-2-4-9(13)14/h10H,2-6H2,1H3,(H,13,14).
What are the key properties of 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid?
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid has a molecular weight of 213.24 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid is sourced from PubChem (CID 106401677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).