4-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid

C14H22N2O5 — CID 66247422

IUPAC4-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN1CC(C(=O)N(CC)C2COCC2C(=O)O)CC1=O
InChIInChI=1S/C14H22N2O5/c1-3-15-6-9(5-12(15)17)13(18)16(4-2)11-8-21-7-10(11)14(19)20/h9-11H,3-8H2,1-2H3,(H,19,20)
InChIKeyWEMMQMJBPVIORO-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.20
Rot. Bonds5

About 4-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid

4-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66247422) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66247422
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name4-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN1CC(C(=O)N(CC)C2COCC2C(=O)O)CC1=O
InChIInChI=1S/C14H22N2O5/c1-3-15-6-9(5-12(15)17)13(18)16(4-2)11-8-21-7-10(11)14(19)20/h9-11H,3-8H2,1-2H3,(H,19,20)
InChIKeyWEMMQMJBPVIORO-UHFFFAOYSA-N
XLogP-0.20
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(cyanomethylsulfanyl)acetyl]-ethylamino]oxolane-3-carboxylic acid
CID 66247828
4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid
CID 66247220
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
3-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 62826701
4-[ethyl-(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]oxolane-3-carboxylic acid
CID 66247666
4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid
CID 66246837
4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245449
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62818498
4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 102779661
4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66251659
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245341

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid (CID 66247422) is 4-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid is CCN1CC(C(=O)N(CC)C2COCC2C(=O)O)CC1=O.
What is the InChIKey of 4-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is WEMMQMJBPVIORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-3-15-6-9(5-12(15)17)13(18)16(4-2)11-8-21-7-10(11)14(19)20/h9-11H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 4-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66247422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).