2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid

C11H20N2O4 — CID 55252054

IUPAC2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
SMILESCCNC(=O)CN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-2-12-10(14)7-13-5-3-9(4-6-13)17-8-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyVOQCRVCYVGJFMV-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.31
Rot. Bonds6

About 2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid

2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid (PubChem CID 55252054) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
PubChem CID55252054
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
SMILESCCNC(=O)CN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-2-12-10(14)7-13-5-3-9(4-6-13)17-8-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyVOQCRVCYVGJFMV-UHFFFAOYSA-N
XLogP-0.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid
CID 63903003
2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63877488
2-[4-(2-cyclohexyloxyacetyl)piperazin-1-yl]-N-ethylacetamide
CID 87000896
1-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39243400
2-(1-heptylpiperidin-4-yl)oxyacetic acid
CID 63905083
3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid
CID 63904959
2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 63903774
2-(1-tert-butylpiperidin-4-yl)oxy-N-ethylacetamide
CID 156523065
2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid
CID 114494954
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
2-[4-[2-(ethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]acetic acid
CID 55119243
2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid
CID 152664837

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid (CID 55252054) is 2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid is CCNC(=O)CN1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is VOQCRVCYVGJFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-12-10(14)7-13-5-3-9(4-6-13)17-8-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid?
2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 244.29 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 55252054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).