1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-3-carboxylic acid

C13H23NO4 — CID 18968948

IUPAC1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)CCN1CCCC(C(=O)O)C1
InChIInChI=1S/C13H23NO4/c1-13(2,3)18-11(15)6-8-14-7-4-5-10(9-14)12(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyJMHGAJINHCIECH-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.51
Rot. Bonds4

About 1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-3-carboxylic acid

1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-3-carboxylic acid (PubChem CID 18968948) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-3-carboxylic acid
PubChem CID18968948
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)CCN1CCCC(C(=O)O)C1
InChIInChI=1S/C13H23NO4/c1-13(2,3)18-11(15)6-8-14-7-4-5-10(9-14)12(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyJMHGAJINHCIECH-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-3-carboxylic acid (CID 18968948) is 1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-3-carboxylic acid is CC(C)(C)OC(=O)CCN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-3-carboxylic acid?
The InChIKey is JMHGAJINHCIECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-13(2,3)18-11(15)6-8-14-7-4-5-10(9-14)12(16)17/h10H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-3-carboxylic acid?
1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-3-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 18968948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).