3-[(5-methyl-1,2-oxazol-3-yl)-pentylamino]propanoic acid

C12H20N2O3 — CID 82318170

IUPAC3-[(5-methyl-1,2-oxazol-3-yl)-pentylamino]propanoic acid
SMILESCCCCCN(CCC(=O)O)c1cc(C)on1
InChIInChI=1S/C12H20N2O3/c1-3-4-5-7-14(8-6-12(15)16)11-9-10(2)17-13-11/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyIZVDNMOPAGCADP-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.45
Rot. Bonds8

About 3-[(5-methyl-1,2-oxazol-3-yl)-pentylamino]propanoic acid

3-[(5-methyl-1,2-oxazol-3-yl)-pentylamino]propanoic acid (PubChem CID 82318170) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazol-3-yl)-pentylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazol-3-yl)-pentylamino]propanoic acid
PubChem CID82318170
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-[(5-methyl-1,2-oxazol-3-yl)-pentylamino]propanoic acid
SMILESCCCCCN(CCC(=O)O)c1cc(C)on1
InChIInChI=1S/C12H20N2O3/c1-3-4-5-7-14(8-6-12(15)16)11-9-10(2)17-13-11/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyIZVDNMOPAGCADP-UHFFFAOYSA-N
XLogP2.45
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(5-methyl-1,2-oxazol-3-yl)-pentylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)-pentylamino]propanoic acid?
The IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)-pentylamino]propanoic acid (CID 82318170) is 3-[(5-methyl-1,2-oxazol-3-yl)-pentylamino]propanoic acid.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazol-3-yl)-pentylamino]propanoic acid?
The canonical SMILES for 3-[(5-methyl-1,2-oxazol-3-yl)-pentylamino]propanoic acid is CCCCCN(CCC(=O)O)c1cc(C)on1.
What is the InChIKey of 3-[(5-methyl-1,2-oxazol-3-yl)-pentylamino]propanoic acid?
The InChIKey is IZVDNMOPAGCADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-4-5-7-14(8-6-12(15)16)11-9-10(2)17-13-11/h9H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 3-[(5-methyl-1,2-oxazol-3-yl)-pentylamino]propanoic acid?
3-[(5-methyl-1,2-oxazol-3-yl)-pentylamino]propanoic acid has a molecular weight of 240.30 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazol-3-yl)-pentylamino]propanoic acid is sourced from PubChem (CID 82318170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).