4-(1,2,4-oxadiazol-3-ylmethylamino)pentanoic acid

C8H13N3O3 — CID 106392934

IUPAC4-(1,2,4-oxadiazol-3-ylmethylamino)pentanoic acid
SMILESCC(CCC(=O)O)NCc1ncon1
InChIInChI=1S/C8H13N3O3/c1-6(2-3-8(12)13)9-4-7-10-5-14-11-7/h5-6,9H,2-4H2,1H3,(H,12,13)
InChIKeyUSCHHDYREHBBNR-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.41
Rot. Bonds6

About 4-(1,2,4-oxadiazol-3-ylmethylamino)pentanoic acid

4-(1,2,4-oxadiazol-3-ylmethylamino)pentanoic acid (PubChem CID 106392934) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-ylmethylamino)pentanoic acid.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-ylmethylamino)pentanoic acid
PubChem CID106392934
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name4-(1,2,4-oxadiazol-3-ylmethylamino)pentanoic acid
SMILESCC(CCC(=O)O)NCc1ncon1
InChIInChI=1S/C8H13N3O3/c1-6(2-3-8(12)13)9-4-7-10-5-14-11-7/h5-6,9H,2-4H2,1H3,(H,12,13)
InChIKeyUSCHHDYREHBBNR-UHFFFAOYSA-N
XLogP0.41
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-3-ylmethylamino)pentanoic acid?
The IUPAC name of 4-(1,2,4-oxadiazol-3-ylmethylamino)pentanoic acid (CID 106392934) is 4-(1,2,4-oxadiazol-3-ylmethylamino)pentanoic acid.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-ylmethylamino)pentanoic acid?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-ylmethylamino)pentanoic acid is CC(CCC(=O)O)NCc1ncon1.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-ylmethylamino)pentanoic acid?
The InChIKey is USCHHDYREHBBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-6(2-3-8(12)13)9-4-7-10-5-14-11-7/h5-6,9H,2-4H2,1H3,(H,12,13).
What are the key properties of 4-(1,2,4-oxadiazol-3-ylmethylamino)pentanoic acid?
4-(1,2,4-oxadiazol-3-ylmethylamino)pentanoic acid has a molecular weight of 199.21 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-3-ylmethylamino)pentanoic acid is sourced from PubChem (CID 106392934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).