4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid

C11H19NO4 — CID 129359557

IUPAC4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
SMILESCOC[C@@H]1CCCCN1C(=O)CCC(=O)O
InChIInChI=1S/C11H19NO4/c1-16-8-9-4-2-3-7-12(9)10(13)5-6-11(14)15/h9H,2-8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyLRUMZYJGIFZUCA-VIFPVBQESA-N
MW229.28 g/mol
LogP0.88
Rot. Bonds5

About 4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid

4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid (PubChem CID 129359557) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
PubChem CID129359557
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
SMILESCOC[C@@H]1CCCCN1C(=O)CCC(=O)O
InChIInChI=1S/C11H19NO4/c1-16-8-9-4-2-3-7-12(9)10(13)5-6-11(14)15/h9H,2-8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyLRUMZYJGIFZUCA-VIFPVBQESA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 129323090
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
1-[2-(methoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 83624640
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626
1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
CID 70853461
4-oxo-4-[(2S)-2-prop-2-enylpiperidin-1-yl]butanoic acid
CID 102402490
cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110869949
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 170241692
6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
CID 43447225
5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 54916732
3-[1-(2-ethoxyacetyl)piperidin-2-yl]propanoic acid
CID 62217281
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid (CID 129359557) is 4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid is COC[C@@H]1CCCCN1C(=O)CCC(=O)O.
What is the InChIKey of 4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid?
The InChIKey is LRUMZYJGIFZUCA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO4/c1-16-8-9-4-2-3-7-12(9)10(13)5-6-11(14)15/h9H,2-8H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of 4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid?
4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 129359557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).