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

C13H25NO4 — CID 103034725

IUPAC4-[ethyl-(3-methoxy-3-methylbutyl)amino]oxolane-3-carboxylic acid
SMILESCCN(CCC(C)(C)OC)C1COCC1C(=O)O
InChIInChI=1S/C13H25NO4/c1-5-14(7-6-13(2,3)17-4)11-9-18-8-10(11)12(15)16/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeySANSBFMWOWWOHH-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.22
Rot. Bonds7

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

4-[ethyl-(3-methoxy-3-methylbutyl)amino]oxolane-3-carboxylic acid (PubChem CID 103034725) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[ethyl-(3-methoxy-3-methylbutyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(3-methoxy-3-methylbutyl)amino]oxolane-3-carboxylic acid
PubChem CID103034725
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name4-[ethyl-(3-methoxy-3-methylbutyl)amino]oxolane-3-carboxylic acid
SMILESCCN(CCC(C)(C)OC)C1COCC1C(=O)O
InChIInChI=1S/C13H25NO4/c1-5-14(7-6-13(2,3)17-4)11-9-18-8-10(11)12(15)16/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeySANSBFMWOWWOHH-UHFFFAOYSA-N
XLogP1.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(3-methoxy-3-methylbutyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(3-methoxy-3-methylbutyl)amino]oxolane-3-carboxylic acid (CID 103034725) is 4-[ethyl-(3-methoxy-3-methylbutyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(3-methoxy-3-methylbutyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(3-methoxy-3-methylbutyl)amino]oxolane-3-carboxylic acid is CCN(CCC(C)(C)OC)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-(3-methoxy-3-methylbutyl)amino]oxolane-3-carboxylic acid?
The InChIKey is SANSBFMWOWWOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-5-14(7-6-13(2,3)17-4)11-9-18-8-10(11)12(15)16/h10-11H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 4-[ethyl-(3-methoxy-3-methylbutyl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(3-methoxy-3-methylbutyl)amino]oxolane-3-carboxylic acid has a molecular weight of 259.35 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(3-methoxy-3-methylbutyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 103034725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).