3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid

C12H21NO4 — CID 15818985

IUPAC3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid
SMILESCCOC(=O)CN1CCC(CCC(=O)O)CC1
InChIInChI=1S/C12H21NO4/c1-2-17-12(16)9-13-7-5-10(6-8-13)3-4-11(14)15/h10H,2-9H2,1H3,(H,14,15)
InChIKeyVVLYKQUUEVQXKA-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.13
Rot. Bonds6

About 3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid

3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid (PubChem CID 15818985) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid
PubChem CID15818985
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid
SMILESCCOC(=O)CN1CCC(CCC(=O)O)CC1
InChIInChI=1S/C12H21NO4/c1-2-17-12(16)9-13-7-5-10(6-8-13)3-4-11(14)15/h10H,2-9H2,1H3,(H,14,15)
InChIKeyVVLYKQUUEVQXKA-UHFFFAOYSA-N
XLogP1.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-propylpiperidin-1-yl)acetate
CID 54019773
ethyl 3-(1-propylpiperidin-4-yl)propanoate
CID 125041797
ethyl 2-(3-propylpyrrolidin-1-yl)acetate
CID 115667565
ethyl 2-(3-ethylpyrrolidin-1-yl)acetate
CID 115688617
ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate
CID 103484490
3-[7-(carboxymethyl)-4,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid
CID 129038037
3-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]propanoic acid
CID 62215678
ethyl 2-(4-cyclohexylpiperidin-1-yl)acetate
CID 142887081
ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate
CID 176667443
sodium;ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;iodide
CID 23722784
ethyl 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxopentanoate
CID 103484577
3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]propanoic acid
CID 62217877

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid (CID 15818985) is 3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid is CCOC(=O)CN1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid?
The InChIKey is VVLYKQUUEVQXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-17-12(16)9-13-7-5-10(6-8-13)3-4-11(14)15/h10H,2-9H2,1H3,(H,14,15).
What are the key properties of 3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid?
3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 15818985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).