2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid

C13H24N2O3 — CID 54899773

IUPAC2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
SMILESCC(C)N(C)C(=O)CN1CCCCC1CC(=O)O
InChIInChI=1S/C13H24N2O3/c1-10(2)14(3)12(16)9-15-7-5-4-6-11(15)8-13(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyTWWHBWYKOSEJSY-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.18
Rot. Bonds5

About 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid

2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid (PubChem CID 54899773) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
PubChem CID54899773
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
SMILESCC(C)N(C)C(=O)CN1CCCCC1CC(=O)O
InChIInChI=1S/C13H24N2O3/c1-10(2)14(3)12(16)9-15-7-5-4-6-11(15)8-13(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyTWWHBWYKOSEJSY-UHFFFAOYSA-N
XLogP1.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 43186999
methyl 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetate
CID 62027896
2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 114338856
2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 93438414
N-methyl-2-[2-[1-(methylamino)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 63854674
2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 110898913
2-[(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 97083981
2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid
CID 54899772
2-[1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899300
2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63853649
2-[1-[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61371114
2-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61009991

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid (CID 54899773) is 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid is CC(C)N(C)C(=O)CN1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid?
The InChIKey is TWWHBWYKOSEJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)14(3)12(16)9-15-7-5-4-6-11(15)8-13(17)18/h10-11H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid?
2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).