2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid

C15H29NO3 — CID 112590712

IUPAC2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid
SMILESCC(C)(C)OCCN1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C15H29NO3/c1-14(2,3)19-10-9-16-8-6-7-12(11-16)15(4,5)13(17)18/h12H,6-11H2,1-5H3,(H,17,18)
InChIKeyAPMXTIXXHBESFQ-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.62
Rot. Bonds5

About 2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid

2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid (PubChem CID 112590712) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid
PubChem CID112590712
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid
SMILESCC(C)(C)OCCN1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C15H29NO3/c1-14(2,3)19-10-9-16-8-6-7-12(11-16)15(4,5)13(17)18/h12H,6-11H2,1-5H3,(H,17,18)
InChIKeyAPMXTIXXHBESFQ-UHFFFAOYSA-N
XLogP2.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic 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 2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid (CID 112590712) is 2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid is CC(C)(C)OCCN1CCCC(C(C)(C)C(=O)O)C1.
What is the InChIKey of 2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid?
The InChIKey is APMXTIXXHBESFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-14(2,3)19-10-9-16-8-6-7-12(11-16)15(4,5)13(17)18/h12H,6-11H2,1-5H3,(H,17,18).
What are the key properties of 2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid?
2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid has a molecular weight of 271.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 112590712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).