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

C12H23NO4 — CID 66246291

IUPAC4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid
SMILESCCOCCCN(CC)C1COCC1C(=O)O
InChIInChI=1S/C12H23NO4/c1-3-13(6-5-7-16-4-2)11-9-17-8-10(11)12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyPNJMQLWHUDZZGI-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.83
Rot. Bonds8

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

4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid (PubChem CID 66246291) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid
PubChem CID66246291
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid
SMILESCCOCCCN(CC)C1COCC1C(=O)O
InChIInChI=1S/C12H23NO4/c1-3-13(6-5-7-16-4-2)11-9-17-8-10(11)12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyPNJMQLWHUDZZGI-UHFFFAOYSA-N
XLogP0.83
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[ethyl(4-methylsulfanylbutyl)amino]oxolane-3-carboxylic acid
CID 103090479
4-[ethyl(3-methylbutyl)amino]oxolane-3-carboxylic acid
CID 66245116
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-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid
CID 66244916
4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 81037296
2-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 55228468
4-[(3-cyano-3-methylbutyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245119
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255
4-[2-(2-chlorophenoxy)ethyl-ethylamino]oxolane-3-carboxylic acid
CID 66246288
4-[4-methylsulfanylbutyl(propyl)amino]oxolane-3-carboxylic acid
CID 103090480
4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid
CID 106454746

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid (CID 66246291) is 4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid is CCOCCCN(CC)C1COCC1C(=O)O.
What is the InChIKey of 4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid?
The InChIKey is PNJMQLWHUDZZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-3-13(6-5-7-16-4-2)11-9-17-8-10(11)12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid?
4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).