4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid

C13H22N2O4 — CID 102779661

IUPAC4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)C1NCCC1C)C1COCC1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-3-15(10-7-19-6-9(10)13(17)18)12(16)11-8(2)4-5-14-11/h8-11,14H,3-7H2,1-2H3,(H,17,18)
InChIKeyTYYZWRUVNGJHTI-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.07
Rot. Bonds4

About 4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid

4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 102779661) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID102779661
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)C1NCCC1C)C1COCC1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-3-15(10-7-19-6-9(10)13(17)18)12(16)11-8(2)4-5-14-11/h8-11,14H,3-7H2,1-2H3,(H,17,18)
InChIKeyTYYZWRUVNGJHTI-UHFFFAOYSA-N
XLogP-0.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-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

4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
CID 66247506
4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 107175663
4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246028
4-[ethyl-(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247521
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
N-cyclopropyl-N-ethyl-3-methylpiperidine-2-carboxamide
CID 107067196
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid
CID 112602262
4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66245727
4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246319
4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid
CID 66246837
4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245449

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid (CID 102779661) is 4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)C1NCCC1C)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is TYYZWRUVNGJHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-3-15(10-7-19-6-9(10)13(17)18)12(16)11-8(2)4-5-14-11/h8-11,14H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 102779661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).