(2S)-2-[5-(2-oxoethyl)oxolan-2-yl]pyrrolidine-1-carboxylic acid

C11H17NO4 — CID 146219297

IUPAC(2S)-2-[5-(2-oxoethyl)oxolan-2-yl]pyrrolidine-1-carboxylic acid
SMILESO=CCC1CCC([C@@H]2CCCN2C(=O)O)O1
InChIInChI=1S/C11H17NO4/c13-7-5-8-3-4-10(16-8)9-2-1-6-12(9)11(14)15/h7-10H,1-6H2,(H,14,15)/t8?,9-,10?/m0/s1
InChIKeyPTUXXLQTAUPQCX-KYHHOPLUSA-N
MW227.26 g/mol
LogP1.27
Rot. Bonds3

About (2S)-2-[5-(2-oxoethyl)oxolan-2-yl]pyrrolidine-1-carboxylic acid

(2S)-2-[5-(2-oxoethyl)oxolan-2-yl]pyrrolidine-1-carboxylic acid (PubChem CID 146219297) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (2S)-2-[5-(2-oxoethyl)oxolan-2-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[5-(2-oxoethyl)oxolan-2-yl]pyrrolidine-1-carboxylic acid
PubChem CID146219297
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(2S)-2-[5-(2-oxoethyl)oxolan-2-yl]pyrrolidine-1-carboxylic acid
SMILESO=CCC1CCC([C@@H]2CCCN2C(=O)O)O1
InChIInChI=1S/C11H17NO4/c13-7-5-8-3-4-10(16-8)9-2-1-6-12(9)11(14)15/h7-10H,1-6H2,(H,14,15)/t8?,9-,10?/m0/s1
InChIKeyPTUXXLQTAUPQCX-KYHHOPLUSA-N
XLogP1.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-(2-oxoethyl)oxolan-2-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-[5-(2-oxoethyl)oxolan-2-yl]pyrrolidine-1-carboxylic acid (CID 146219297) is (2S)-2-[5-(2-oxoethyl)oxolan-2-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[5-(2-oxoethyl)oxolan-2-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-[5-(2-oxoethyl)oxolan-2-yl]pyrrolidine-1-carboxylic acid is O=CCC1CCC([C@@H]2CCCN2C(=O)O)O1.
What is the InChIKey of (2S)-2-[5-(2-oxoethyl)oxolan-2-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is PTUXXLQTAUPQCX-KYHHOPLUSA-N. The full InChI is InChI=1S/C11H17NO4/c13-7-5-8-3-4-10(16-8)9-2-1-6-12(9)11(14)15/h7-10H,1-6H2,(H,14,15)/t8?,9-,10?/m0/s1.
What are the key properties of (2S)-2-[5-(2-oxoethyl)oxolan-2-yl]pyrrolidine-1-carboxylic acid?
(2S)-2-[5-(2-oxoethyl)oxolan-2-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-(2-oxoethyl)oxolan-2-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 146219297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).