1-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

C12H18N2O3 — CID 106984444

IUPAC1-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(Cc2ccno2)C1
InChIInChI=1S/C12H18N2O3/c1-9(2)12(11(15)16)4-6-14(8-12)7-10-3-5-13-17-10/h3,5,9H,4,6-8H2,1-2H3,(H,15,16)
InChIKeyXLSWFUKLGJFLDB-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.61
Rot. Bonds4

About 1-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106984444) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106984444
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(Cc2ccno2)C1
InChIInChI=1S/C12H18N2O3/c1-9(2)12(11(15)16)4-6-14(8-12)7-10-3-5-13-17-10/h3,5,9H,4,6-8H2,1-2H3,(H,15,16)
InChIKeyXLSWFUKLGJFLDB-UHFFFAOYSA-N
XLogP1.61
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106984444) is 1-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)C1(C(=O)O)CCN(Cc2ccno2)C1.
What is the InChIKey of 1-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is XLSWFUKLGJFLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(2)12(11(15)16)4-6-14(8-12)7-10-3-5-13-17-10/h3,5,9H,4,6-8H2,1-2H3,(H,15,16).
What are the key properties of 1-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106984444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).