2-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid

C11H16N2O3 — CID 79371547

IUPAC2-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCc1cc(CN2CCC(C(=O)O)C2C)no1
InChIInChI=1S/C11H16N2O3/c1-7-5-9(12-16-7)6-13-4-3-10(8(13)2)11(14)15/h5,8,10H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyJGJWDYPYPLVMKE-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.28
Rot. Bonds3

About 2-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid

2-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 79371547) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID79371547
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCc1cc(CN2CCC(C(=O)O)C2C)no1
InChIInChI=1S/C11H16N2O3/c1-7-5-9(12-16-7)6-13-4-3-10(8(13)2)11(14)15/h5,8,10H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyJGJWDYPYPLVMKE-UHFFFAOYSA-N
XLogP1.28
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 114426836
2,3-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 79407402
2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 115529748
3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propanoic acid
CID 62216318
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79371085
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79383563
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79369310
(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96615458
(2R,3S)-2-methyl-1-(5-methyl-1,2-oxazol-3-yl)azepane-3-carboxylic acid
CID 96593011
1-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382615
2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79549497
1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372329

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (CID 79371547) is 2-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is Cc1cc(CN2CCC(C(=O)O)C2C)no1.
What is the InChIKey of 2-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is JGJWDYPYPLVMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-5-9(12-16-7)6-13-4-3-10(8(13)2)11(14)15/h5,8,10H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79371547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).