3-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]propanoic acid

C13H20N2O3 — CID 42576536

IUPAC3-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]propanoic acid
SMILESCCc1noc(C)c1[C@H]1CCCN1CCC(=O)O
InChIInChI=1S/C13H20N2O3/c1-3-10-13(9(2)18-14-10)11-5-4-7-15(11)8-6-12(16)17/h11H,3-8H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyJPKAMSYKNNSVFF-LLVKDONJSA-N
MW252.31 g/mol
LogP2.16
Rot. Bonds5

About 3-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]propanoic acid

3-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]propanoic acid (PubChem CID 42576536) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]propanoic acid
PubChem CID42576536
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]propanoic acid
SMILESCCc1noc(C)c1[C@H]1CCCN1CCC(=O)O
InChIInChI=1S/C13H20N2O3/c1-3-10-13(9(2)18-14-10)11-5-4-7-15(11)8-6-12(16)17/h11H,3-8H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyJPKAMSYKNNSVFF-LLVKDONJSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanamine
CID 51619087
3-[2-(1,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]propanoic acid
CID 25248459
1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119909283
3-[(2R)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-yl]propanoic acid
CID 42576574
4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
CID 53009622
[2-(2,6-dimethylphenyl)pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 138037142
3-[2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]propanoic acid
CID 25248436
3-[(2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]propanoic acid
CID 42576553
3-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propanoic acid
CID 125146594
4-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]butanoic acid
CID 124564407
4-[1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine
CID 95216226
3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid
CID 119134694

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]propanoic acid?
The IUPAC name of 3-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]propanoic acid (CID 42576536) is 3-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]propanoic acid is CCc1noc(C)c1[C@H]1CCCN1CCC(=O)O.
What is the InChIKey of 3-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]propanoic acid?
The InChIKey is JPKAMSYKNNSVFF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-10-13(9(2)18-14-10)11-5-4-7-15(11)8-6-12(16)17/h11H,3-8H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 3-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]propanoic acid?
3-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]propanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 42576536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).