2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid

C13H22N2O5 — CID 79606572

IUPAC2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid
SMILESCCOC(=O)CN(C)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H22N2O5/c1-3-20-12(18)9-14(2)13(19)15-6-4-10(5-7-15)8-11(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyGXHKZZISYWCKQK-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.79
Rot. Bonds5

About 2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid

2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid (PubChem CID 79606572) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid
PubChem CID79606572
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid
SMILESCCOC(=O)CN(C)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H22N2O5/c1-3-20-12(18)9-14(2)13(19)15-6-4-10(5-7-15)8-11(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyGXHKZZISYWCKQK-UHFFFAOYSA-N
XLogP0.79
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[methyl(piperidine-1-carbonyl)amino]acetate
CID 78984916
2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid
CID 79615731
2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid
CID 79605780
2-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609047
2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid
CID 106917160
ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate
CID 55003374
(2S)-1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54969312
2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608327
2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid
CID 79609171
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid
CID 64597214
2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606749
1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071482

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid (CID 79606572) is 2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid is CCOC(=O)CN(C)C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is GXHKZZISYWCKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-3-20-12(18)9-14(2)13(19)15-6-4-10(5-7-15)8-11(16)17/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid?
2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79606572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).