Skip to content

4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid

C13H25NO4 — CID 66251760

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(C)CCOC)C1COCC1C(=O)O
InChIInChI=1S/C13H25NO4/c1-4-6-14(10(2)5-7-17-3)12-9-18-8-11(12)13(15)16/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyLJGFALOKKXNILG-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.22
Rot. Bonds8

About 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid

4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid (PubChem CID 66251760) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid
PubChem CID66251760
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(C)CCOC)C1COCC1C(=O)O
InChIInChI=1S/C13H25NO4/c1-4-6-14(10(2)5-7-17-3)12-9-18-8-11(12)13(15)16/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyLJGFALOKKXNILG-UHFFFAOYSA-N
XLogP1.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

Analyze 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid (CID 66251760) is 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid is CCCN(C(C)CCOC)C1COCC1C(=O)O.
What is the InChIKey of 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid?
The InChIKey is LJGFALOKKXNILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-4-6-14(10(2)5-7-17-3)12-9-18-8-11(12)13(15)16/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid?
4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid has a molecular weight of 259.35 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66251760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.