5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid

C11H17NO4 — CID 102688295

IUPAC5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
SMILESCC1CCN(C(=O)C2CCC(C(=O)O)O2)C1
InChIInChI=1S/C11H17NO4/c1-7-4-5-12(6-7)10(13)8-2-3-9(16-8)11(14)15/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyAIVGTSAAPZLWDV-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.49
Rot. Bonds2

About 5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid

5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid (PubChem CID 102688295) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
PubChem CID102688295
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
SMILESCC1CCN(C(=O)C2CCC(C(=O)O)O2)C1
InChIInChI=1S/C11H17NO4/c1-7-4-5-12(6-7)10(13)8-2-3-9(16-8)11(14)15/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyAIVGTSAAPZLWDV-UHFFFAOYSA-N
XLogP0.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102687444
(2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
CID 107214293
5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688728
5-(morpholine-4-carbonyl)oxolane-2-carboxylic acid
CID 102687423
5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688903
5-(2-methyl-1,4-oxazepane-4-carbonyl)oxolane-2-carboxylic acid
CID 102688484
5-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688502
(2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102945045
(2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
CID 102945634
5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688432
(2R,5S)-5-(4-acetyl-1,4-diazepane-1-carbonyl)oxolane-2-carboxylic acid
CID 102945101
(2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid
CID 102944528

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid (CID 102688295) is 5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid is CC1CCN(C(=O)C2CCC(C(=O)O)O2)C1.
What is the InChIKey of 5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid?
The InChIKey is AIVGTSAAPZLWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-7-4-5-12(6-7)10(13)8-2-3-9(16-8)11(14)15/h7-9H,2-6H2,1H3,(H,14,15).
What are the key properties of 5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid?
5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102688295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).