4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxane-4-carboxylic acid

C14H25NO4 — CID 55067006

IUPAC4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxane-4-carboxylic acid
SMILESCCN(CC1CCCO1)CC1(C(=O)O)CCOCC1
InChIInChI=1S/C14H25NO4/c1-2-15(10-12-4-3-7-19-12)11-14(13(16)17)5-8-18-9-6-14/h12H,2-11H2,1H3,(H,16,17)
InChIKeyBHRDLJJJODXDMX-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.37
Rot. Bonds6

About 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxane-4-carboxylic acid

4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 55067006) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID55067006
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxane-4-carboxylic acid
SMILESCCN(CC1CCCO1)CC1(C(=O)O)CCOCC1
InChIInChI=1S/C14H25NO4/c1-2-15(10-12-4-3-7-19-12)11-14(13(16)17)5-8-18-9-6-14/h12H,2-11H2,1H3,(H,16,17)
InChIKeyBHRDLJJJODXDMX-UHFFFAOYSA-N
XLogP1.37
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxane-4-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-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxane-4-carboxylic acid (CID 55067006) is 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxane-4-carboxylic acid is CCN(CC1CCCO1)CC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is BHRDLJJJODXDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-2-15(10-12-4-3-7-19-12)11-14(13(16)17)5-8-18-9-6-14/h12H,2-11H2,1H3,(H,16,17).
What are the key properties of 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxane-4-carboxylic acid?
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 55067006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).