4-[ethyl(5-methylhexan-2-yl)amino]oxolane-3-carboxylic acid

C14H27NO3 — CID 66246311

IUPAC4-[ethyl(5-methylhexan-2-yl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(C)CCC(C)C)C1COCC1C(=O)O
InChIInChI=1S/C14H27NO3/c1-5-15(11(4)7-6-10(2)3)13-9-18-8-12(13)14(16)17/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeyPIJLXVIFZJQOEP-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.23
Rot. Bonds7

About 4-[ethyl(5-methylhexan-2-yl)amino]oxolane-3-carboxylic acid

4-[ethyl(5-methylhexan-2-yl)amino]oxolane-3-carboxylic acid (PubChem CID 66246311) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 4-[ethyl(5-methylhexan-2-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(5-methylhexan-2-yl)amino]oxolane-3-carboxylic acid
PubChem CID66246311
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name4-[ethyl(5-methylhexan-2-yl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(C)CCC(C)C)C1COCC1C(=O)O
InChIInChI=1S/C14H27NO3/c1-5-15(11(4)7-6-10(2)3)13-9-18-8-12(13)14(16)17/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeyPIJLXVIFZJQOEP-UHFFFAOYSA-N
XLogP2.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(5-methylhexan-2-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(5-methylhexan-2-yl)amino]oxolane-3-carboxylic acid (CID 66246311) is 4-[ethyl(5-methylhexan-2-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(5-methylhexan-2-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(5-methylhexan-2-yl)amino]oxolane-3-carboxylic acid is CCN(C(C)CCC(C)C)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl(5-methylhexan-2-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is PIJLXVIFZJQOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-15(11(4)7-6-10(2)3)13-9-18-8-12(13)14(16)17/h10-13H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 4-[ethyl(5-methylhexan-2-yl)amino]oxolane-3-carboxylic acid?
4-[ethyl(5-methylhexan-2-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 257.37 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(5-methylhexan-2-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).