2-cyclopropyl-2-(4-methoxypiperidin-1-yl)propanoic acid

C12H21NO3 — CID 82238527

IUPAC2-cyclopropyl-2-(4-methoxypiperidin-1-yl)propanoic acid
SMILESCOC1CCN(C(C)(C(=O)O)C2CC2)CC1
InChIInChI=1S/C12H21NO3/c1-12(11(14)15,9-3-4-9)13-7-5-10(16-2)6-8-13/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyWERQKNPOOGWGTF-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.35
Rot. Bonds4

About 2-cyclopropyl-2-(4-methoxypiperidin-1-yl)propanoic acid

2-cyclopropyl-2-(4-methoxypiperidin-1-yl)propanoic acid (PubChem CID 82238527) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-methoxypiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-methoxypiperidin-1-yl)propanoic acid
PubChem CID82238527
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-cyclopropyl-2-(4-methoxypiperidin-1-yl)propanoic acid
SMILESCOC1CCN(C(C)(C(=O)O)C2CC2)CC1
InChIInChI=1S/C12H21NO3/c1-12(11(14)15,9-3-4-9)13-7-5-10(16-2)6-8-13/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyWERQKNPOOGWGTF-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)propanoic acid
CID 82237816
4-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylbutanoic acid
CID 115000019
2-cyclopropyl-2-(2,5-dihydropyrrol-1-yl)propanoic acid
CID 64680613
4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65297955
2-cyclopropyl-2-(2,6-dimethylmorpholin-4-yl)propanoic acid
CID 114988393
2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid
CID 63323969
2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62820761
(2S)-2-[deuteriomethyl-[2-(4-methoxypiperidin-1-yl)-2-methylpropanoyl]amino]propanoic acid
CID 142602807
4-methoxy-1-(2-methylpentan-2-yl)piperidine
CID 146178496
4-(3-methoxypyrrolidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 103531279
1-(4-methoxypiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604331
2-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid
CID 107409501

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-methoxypiperidin-1-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(4-methoxypiperidin-1-yl)propanoic acid (CID 82238527) is 2-cyclopropyl-2-(4-methoxypiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(4-methoxypiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(4-methoxypiperidin-1-yl)propanoic acid is COC1CCN(C(C)(C(=O)O)C2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-2-(4-methoxypiperidin-1-yl)propanoic acid?
The InChIKey is WERQKNPOOGWGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(11(14)15,9-3-4-9)13-7-5-10(16-2)6-8-13/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-(4-methoxypiperidin-1-yl)propanoic acid?
2-cyclopropyl-2-(4-methoxypiperidin-1-yl)propanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-methoxypiperidin-1-yl)propanoic acid is sourced from PubChem (CID 82238527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).