3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid

C13H23NO5 — CID 58022752

IUPAC3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid
SMILESCC(C)(C)OC(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-7-4-10(5-8-14)18-9-6-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyYMGADXXOTWPYBL-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.88
Rot. Bonds4

About 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid

3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 58022752) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid
PubChem CID58022752
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid
SMILESCC(C)(C)OC(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-7-4-10(5-8-14)18-9-6-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyYMGADXXOTWPYBL-UHFFFAOYSA-N
XLogP1.88
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic 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

2-({1-[(Tert-butoxy)carbonyl]piperidin-4-yl}oxy)propanoic acid
CID 50853305
tert-Butyl 4-hydroxy-2-oxopiperidine-1-carboxylate
CID 56965728
3-[(1-Methylpiperidin-4-yl)oxy]propanoic acid hydrochloride
CID 146083019
3-((1-Methylpiperidin-4-yl)oxy)propanoic acid
CID 57097192
Tert-butyl 4-(2-fluoropropanoyloxy)piperidine-1-carboxylate
CID 174427847
3-[1-(3,3,3-Trifluoropropanoyl)piperidin-4-yl]oxypropanoic acid
CID 63871388
3-[1-(2,2,2-Trifluoroethoxycarbonyl)piperidin-4-yl]oxypropanoic acid
CID 63876506
3-[1-[3-(2,2-Difluoroethoxy)propanoyl]piperidin-4-yl]oxypropanoic acid
CID 103206021
Ethyl 4-(3-acetyloxybut-1-ynyl)-4-hydroxypiperidine-1-carboxylate
CID 10016676
2-[3-[(2-Methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]acetic acid
CID 15485137
Tert-butyl 4-butanoyloxypiperidine-1-carboxylate
CID 17781795
Tert-butyl 4-acetoxypiperidine-1-carboxylate
CID 21660336

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid (CID 58022752) is 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid is CC(C)(C)OC(=O)N1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is YMGADXXOTWPYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-7-4-10(5-8-14)18-9-6-11(15)16/h10H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 273.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 58022752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).