3-[2-methylpropyl-[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid

C16H21N3O4 — CID 42821218

IUPAC3-[2-methylpropyl-[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)c1cc(-c2cccn2C)on1
InChIInChI=1S/C16H21N3O4/c1-11(2)10-19(8-6-15(20)21)16(22)12-9-14(23-17-12)13-5-4-7-18(13)3/h4-5,7,9,11H,6,8,10H2,1-3H3,(H,20,21)
InChIKeyMEOVQZAPWMWFEM-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.25
Rot. Bonds7

About 3-[2-methylpropyl-[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid

3-[2-methylpropyl-[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid (PubChem CID 42821218) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-[2-methylpropyl-[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[2-methylpropyl-[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
PubChem CID42821218
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name3-[2-methylpropyl-[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)c1cc(-c2cccn2C)on1
InChIInChI=1S/C16H21N3O4/c1-11(2)10-19(8-6-15(20)21)16(22)12-9-14(23-17-12)13-5-4-7-18(13)3/h4-5,7,9,11H,6,8,10H2,1-3H3,(H,20,21)
InChIKeyMEOVQZAPWMWFEM-UHFFFAOYSA-N
XLogP2.25
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-methylpropyl-[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]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-[2-methylpropyl-[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[2-methylpropyl-[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid (CID 42821218) is 3-[2-methylpropyl-[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[2-methylpropyl-[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[2-methylpropyl-[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid is CC(C)CN(CCC(=O)O)C(=O)c1cc(-c2cccn2C)on1.
What is the InChIKey of 3-[2-methylpropyl-[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid?
The InChIKey is MEOVQZAPWMWFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-11(2)10-19(8-6-15(20)21)16(22)12-9-14(23-17-12)13-5-4-7-18(13)3/h4-5,7,9,11H,6,8,10H2,1-3H3,(H,20,21).
What are the key properties of 3-[2-methylpropyl-[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid?
3-[2-methylpropyl-[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid has a molecular weight of 319.36 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl-[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 42821218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).