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

C15H26N2O4 — CID 66247507

IUPAC4-[ethyl-(3-propylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCCC1(C(=O)N(CC)C2COCC2C(=O)O)CCNC1
InChIInChI=1S/C15H26N2O4/c1-3-5-15(6-7-16-10-15)14(20)17(4-2)12-9-21-8-11(12)13(18)19/h11-12,16H,3-10H2,1-2H3,(H,18,19)
InChIKeySOIOFHDWFUWXOA-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.71
Rot. Bonds6

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

4-[ethyl-(3-propylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66247507) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[ethyl-(3-propylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(3-propylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66247507
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[ethyl-(3-propylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCCC1(C(=O)N(CC)C2COCC2C(=O)O)CCNC1
InChIInChI=1S/C15H26N2O4/c1-3-5-15(6-7-16-10-15)14(20)17(4-2)12-9-21-8-11(12)13(18)19/h11-12,16H,3-10H2,1-2H3,(H,18,19)
InChIKeySOIOFHDWFUWXOA-UHFFFAOYSA-N
XLogP0.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66235615
4-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115435371
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-propylpyrrolidine-3-carboxamide
CID 63140283
4-[[1-(aminomethyl)cyclopropanecarbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115453467
4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
CID 66247506
N-methyl-N-[(2-methylcyclopropyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63866435
N-methyl-N-(oxan-4-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 55226836
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
N-cyclopropyl-N,4-diethylpiperidine-4-carboxamide
CID 63127607
1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid
CID 79308921
4-[methyl-(4-methylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66236430
4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 102779661

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(3-propylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(3-propylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid (CID 66247507) is 4-[ethyl-(3-propylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(3-propylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(3-propylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid is CCCC1(C(=O)N(CC)C2COCC2C(=O)O)CCNC1.
What is the InChIKey of 4-[ethyl-(3-propylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is SOIOFHDWFUWXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-5-15(6-7-16-10-15)14(20)17(4-2)12-9-21-8-11(12)13(18)19/h11-12,16H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 4-[ethyl-(3-propylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(3-propylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(3-propylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66247507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).