4-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid

C13H24N2O3 — CID 66244916

IUPAC4-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid
SMILESCCN(CCN1CCCC1)C1COCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-2-15(8-7-14-5-3-4-6-14)12-10-18-9-11(12)13(16)17/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyASNHYILZKOQHRT-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.50
Rot. Bonds6

About 4-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid

4-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid (PubChem CID 66244916) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid
PubChem CID66244916
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid
SMILESCCN(CCN1CCCC1)C1COCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-2-15(8-7-14-5-3-4-6-14)12-10-18-9-11(12)13(16)17/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyASNHYILZKOQHRT-UHFFFAOYSA-N
XLogP0.50
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254024
4-[ethyl(3-methylbutyl)amino]oxolane-3-carboxylic acid
CID 66245116
4-[[2-(azetidin-1-yl)-2-oxoethyl]-ethylamino]oxolane-3-carboxylic acid
CID 66246691
4-[2-cyanoethyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66247455
4-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]oxolane-3-carboxylic acid
CID 66247672
4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246291
4-[ethyl(4-methylsulfanylbutyl)amino]oxolane-3-carboxylic acid
CID 103090479
4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid
CID 66244930
4-[(3-cyano-3-methylbutyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245119
4-[2-imidazol-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252267
4-[but-3-ynyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253813
4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66246701

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid (CID 66244916) is 4-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid is CCN(CCN1CCCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid?
The InChIKey is ASNHYILZKOQHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-15(8-7-14-5-3-4-6-14)12-10-18-9-11(12)13(16)17/h11-12H,2-10H2,1H3,(H,16,17).
What are the key properties of 4-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid?
4-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66244916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).