1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid

C13H22N2O5 — CID 114425406

IUPAC1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCCOC(=O)CN(C)C(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C13H22N2O5/c1-4-20-11(16)8-14(3)13(19)15-6-5-9(2)7-10(15)12(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyARVBPEANXFBFGC-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.79
Rot. Bonds4

About 1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid

1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114425406) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114425406
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCCOC(=O)CN(C)C(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C13H22N2O5/c1-4-20-11(16)8-14(3)13(19)15-6-5-9(2)7-10(15)12(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyARVBPEANXFBFGC-UHFFFAOYSA-N
XLogP0.79
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

(2S)-1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54969312
1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425523
1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071482
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
4-ethyl-1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-2-carboxylic acid
CID 114430104
3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 54969155
4-methyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]piperidine-2-carboxylic acid
CID 114425707
1-hexanoyl-4-methylpiperidine-2-carboxylic acid
CID 114421742
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422077
4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 114425505
1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782395
4-methyl-1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]piperidine-2-carboxylic acid
CID 114425868

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid (CID 114425406) is 1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid is CCOC(=O)CN(C)C(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is ARVBPEANXFBFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-4-20-11(16)8-14(3)13(19)15-6-5-9(2)7-10(15)12(17)18/h9-10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid?
1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114425406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).