5-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]piperidine-3-carboxylic acid

C13H22N2O4 — CID 114598055

IUPAC5-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]piperidine-3-carboxylic acid
SMILESCCN(C(=O)COC1CNCC(C(=O)O)C1)C1CC1
InChIInChI=1S/C13H22N2O4/c1-2-15(10-3-4-10)12(16)8-19-11-5-9(13(17)18)6-14-7-11/h9-11,14H,2-8H2,1H3,(H,17,18)
InChIKeyAYWCSGSUSXMJCB-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.08
Rot. Bonds6

About 5-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]piperidine-3-carboxylic acid

5-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]piperidine-3-carboxylic acid (PubChem CID 114598055) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]piperidine-3-carboxylic acid
PubChem CID114598055
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name5-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]piperidine-3-carboxylic acid
SMILESCCN(C(=O)COC1CNCC(C(=O)O)C1)C1CC1
InChIInChI=1S/C13H22N2O4/c1-2-15(10-3-4-10)12(16)8-19-11-5-9(13(17)18)6-14-7-11/h9-11,14H,2-8H2,1H3,(H,17,18)
InChIKeyAYWCSGSUSXMJCB-UHFFFAOYSA-N
XLogP0.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]piperidine-3-carboxylic acid?
The IUPAC name of 5-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]piperidine-3-carboxylic acid (CID 114598055) is 5-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]piperidine-3-carboxylic acid?
The canonical SMILES for 5-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]piperidine-3-carboxylic acid is CCN(C(=O)COC1CNCC(C(=O)O)C1)C1CC1.
What is the InChIKey of 5-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]piperidine-3-carboxylic acid?
The InChIKey is AYWCSGSUSXMJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-2-15(10-3-4-10)12(16)8-19-11-5-9(13(17)18)6-14-7-11/h9-11,14H,2-8H2,1H3,(H,17,18).
What are the key properties of 5-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]piperidine-3-carboxylic acid?
5-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]piperidine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]piperidine-3-carboxylic acid is sourced from PubChem (CID 114598055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).