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

C11H14N2O4 — CID 119354480

IUPAC1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCc1cc(CC(=O)N2CCC(C(=O)O)C2)no1
InChIInChI=1S/C11H14N2O4/c1-7-4-9(12-17-7)5-10(14)13-3-2-8(6-13)11(15)16/h4,8H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyHUEXLBONQFKRGK-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.46
Rot. Bonds3

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

1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 119354480) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID119354480
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCc1cc(CC(=O)N2CCC(C(=O)O)C2)no1
InChIInChI=1S/C11H14N2O4/c1-7-4-9(12-17-7)5-10(14)13-3-2-8(6-13)11(15)16/h4,8H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyHUEXLBONQFKRGK-UHFFFAOYSA-N
XLogP0.46
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 110836609
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride
CID 119635911
1-[2-(2,4,6-trimethylphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 120533845
2-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenylmorpholin-4-yl)ethanone
CID 110629831
(3R)-3-methyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 124693915
(3R)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 97219682
1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 110629122
(3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 124684647
2-(dimethylamino)-4-[1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 137246954
1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63006760
(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 78996821
(3R)-1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124683151

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid (CID 119354480) is 1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid is Cc1cc(CC(=O)N2CCC(C(=O)O)C2)no1.
What is the InChIKey of 1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is HUEXLBONQFKRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-4-9(12-17-7)5-10(14)13-3-2-8(6-13)11(15)16/h4,8H,2-3,5-6H2,1H3,(H,15,16).
What are the key properties of 1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).