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

C12H23NO3 — CID 66245713

IUPAC4-[ethyl(pentyl)amino]oxolane-3-carboxylic acid
SMILESCCCCCN(CC)C1COCC1C(=O)O
InChIInChI=1S/C12H23NO3/c1-3-5-6-7-13(4-2)11-9-16-8-10(11)12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyOXPPLMXVLNFCRR-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.60
Rot. Bonds7

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

4-[ethyl(pentyl)amino]oxolane-3-carboxylic acid (PubChem CID 66245713) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[ethyl(pentyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(pentyl)amino]oxolane-3-carboxylic acid
PubChem CID66245713
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-[ethyl(pentyl)amino]oxolane-3-carboxylic acid
SMILESCCCCCN(CC)C1COCC1C(=O)O
InChIInChI=1S/C12H23NO3/c1-3-5-6-7-13(4-2)11-9-16-8-10(11)12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyOXPPLMXVLNFCRR-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(pentyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(pentyl)amino]oxolane-3-carboxylic acid (CID 66245713) is 4-[ethyl(pentyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(pentyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(pentyl)amino]oxolane-3-carboxylic acid is CCCCCN(CC)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl(pentyl)amino]oxolane-3-carboxylic acid?
The InChIKey is OXPPLMXVLNFCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-5-6-7-13(4-2)11-9-16-8-10(11)12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 4-[ethyl(pentyl)amino]oxolane-3-carboxylic acid?
4-[ethyl(pentyl)amino]oxolane-3-carboxylic acid has a molecular weight of 229.32 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(pentyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).