2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid

C14H26N2O3 — CID 83198082

IUPAC2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid
SMILESCCN(C)C(=O)CN1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-5-15(4)12(17)10-16-8-6-7-11(9-16)14(2,3)13(18)19/h11H,5-10H2,1-4H3,(H,18,19)
InChIKeyRWIHEJJFAGRRPC-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.29
Rot. Bonds5

About 2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid

2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 83198082) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid
PubChem CID83198082
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid
SMILESCCN(C)C(=O)CN1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-5-15(4)12(17)10-16-8-6-7-11(9-16)14(2,3)13(18)19/h11H,5-10H2,1-4H3,(H,18,19)
InChIKeyRWIHEJJFAGRRPC-UHFFFAOYSA-N
XLogP1.29
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[1-(2-methylidenebutyl)piperidin-3-yl]propanoic acid
CID 83198145
2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid
CID 83197238
2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197467
2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide
CID 63848310
N-ethyl-2-(3-formylpiperidin-1-yl)-N-methylacetamide
CID 62655686
4-[(3S)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]benzoic acid
CID 97210621
2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid
CID 112590712
2-methyl-2-[1-(2-propylsulfonylethyl)piperidin-3-yl]propanoic acid
CID 106727680
2-[1-(diethylsulfamoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198043
2-methyl-2-[1-(4-methylsulfanylbutyl)piperidin-3-yl]propanoic acid
CID 103090497
2-[1-[(1-hydroxycyclohexyl)methyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198071
2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetic acid
CID 62822911

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid (CID 83198082) is 2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid is CCN(C)C(=O)CN1CCCC(C(C)(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is RWIHEJJFAGRRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-15(4)12(17)10-16-8-6-7-11(9-16)14(2,3)13(18)19/h11H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid?
2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 83198082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).