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

C12H18N2O5 — CID 102688903

IUPAC5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
SMILESCC(=O)NC1CCN(C(=O)C2CCC(C(=O)O)O2)C1
InChIInChI=1S/C12H18N2O5/c1-7(15)13-8-4-5-14(6-8)11(16)9-2-3-10(19-9)12(17)18/h8-10H,2-6H2,1H3,(H,13,15)(H,17,18)
InChIKeyHEFNXEWUKADLKO-UHFFFAOYSA-N
MW270.28 g/mol
LogP-0.64
Rot. Bonds3

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

5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid (PubChem CID 102688903) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
PubChem CID102688903
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
SMILESCC(=O)NC1CCN(C(=O)C2CCC(C(=O)O)O2)C1
InChIInChI=1S/C12H18N2O5/c1-7(15)13-8-4-5-14(6-8)11(16)9-2-3-10(19-9)12(17)18/h8-10H,2-6H2,1H3,(H,13,15)(H,17,18)
InChIKeyHEFNXEWUKADLKO-UHFFFAOYSA-N
XLogP-0.64
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3-acetamidopyrrolidine-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

(2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
CID 102945634
5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688295
3-acetamidopyrrolidine-1-carboxylic acid
CID 22061271
5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688728
(2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
CID 107214293
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
5-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688502
5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102687444
[3-(methylamino)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 115300185
(2R,5S)-5-(4-acetyl-1,4-diazepane-1-carbonyl)oxolane-2-carboxylic acid
CID 102945101
(2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102945045
5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688432

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid (CID 102688903) is 5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid is CC(=O)NC1CCN(C(=O)C2CCC(C(=O)O)O2)C1.
What is the InChIKey of 5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid?
The InChIKey is HEFNXEWUKADLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-7(15)13-8-4-5-14(6-8)11(16)9-2-3-10(19-9)12(17)18/h8-10H,2-6H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid?
5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid has a molecular weight of 270.28 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102688903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).