2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid

C14H25NO4 — CID 116522730

IUPAC2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid
SMILESCC1(C)CCC(CN2CCC(OCC(=O)O)CC2)O1
InChIInChI=1S/C14H25NO4/c1-14(2)6-3-12(19-14)9-15-7-4-11(5-8-15)18-10-13(16)17/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyXVSCGBDERSGRPP-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.51
Rot. Bonds5

About 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid

2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid (PubChem CID 116522730) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid
PubChem CID116522730
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid
SMILESCC1(C)CCC(CN2CCC(OCC(=O)O)CC2)O1
InChIInChI=1S/C14H25NO4/c1-14(2)6-3-12(19-14)9-15-7-4-11(5-8-15)18-10-13(16)17/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyXVSCGBDERSGRPP-UHFFFAOYSA-N
XLogP1.51
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
CID 116524057
1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 116522721
2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid
CID 63904881
4-[(5,5-dimethyloxolan-2-yl)methyl]morpholine
CID 130167785
[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine
CID 116520993
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 116522162
4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
CID 106838012
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 116522163
2-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxyacetic acid
CID 63905111
2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid
CID 152664837
2-(1-heptylpiperidin-4-yl)oxyacetic acid
CID 63905083
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 104889632

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid (CID 116522730) is 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid is CC1(C)CCC(CN2CCC(OCC(=O)O)CC2)O1.
What is the InChIKey of 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is XVSCGBDERSGRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-14(2)6-3-12(19-14)9-15-7-4-11(5-8-15)18-10-13(16)17/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid?
2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 271.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 116522730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).