3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]propanoic acid

C13H20N2O3 — CID 115082879

IUPAC3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]propanoic acid
SMILESCC(C)N1CCCC1c1nc(CCC(=O)O)co1
InChIInChI=1S/C13H20N2O3/c1-9(2)15-7-3-4-11(15)13-14-10(8-18-13)5-6-12(16)17/h8-9,11H,3-7H2,1-2H3,(H,16,17)
InChIKeyHDGHDQXMPOWNRR-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.24
Rot. Bonds5

About 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]propanoic acid

3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]propanoic acid (PubChem CID 115082879) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]propanoic acid
PubChem CID115082879
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]propanoic acid
SMILESCC(C)N1CCCC1c1nc(CCC(=O)O)co1
InChIInChI=1S/C13H20N2O3/c1-9(2)15-7-3-4-11(15)13-14-10(8-18-13)5-6-12(16)17/h8-9,11H,3-7H2,1-2H3,(H,16,17)
InChIKeyHDGHDQXMPOWNRR-UHFFFAOYSA-N
XLogP2.24
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]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

Related Compounds

[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]methanol
CID 115082738
3-[6-methyl-2-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanoic acid
CID 110256786
3-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propanoic acid
CID 115034902
N-methyl-1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]ethanamine
CID 115082822
3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115083507
3-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid
CID 115086113
N-methyl-3-[6-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]propanamide
CID 110269724
2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 115081799
2-[3-[2-methyl-6-[(2S)-1-propan-2-ylpiperidin-2-yl]pyrimidin-4-yl]propanoylamino]acetic acid
CID 95827139
3-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115077232
2-[5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115078001
N-methyl-3-[5-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115077926

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]propanoic acid (CID 115082879) is 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]propanoic acid is CC(C)N1CCCC1c1nc(CCC(=O)O)co1.
What is the InChIKey of 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]propanoic acid?
The InChIKey is HDGHDQXMPOWNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)15-7-3-4-11(15)13-14-10(8-18-13)5-6-12(16)17/h8-9,11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]propanoic acid?
3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]propanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]propanoic acid is sourced from PubChem (CID 115082879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).