2-[(3S)-1-acetylpiperidin-3-yl]oxyacetic acid

C9H15NO4 — CID 66563759

IUPAC2-[(3S)-1-acetylpiperidin-3-yl]oxyacetic acid
SMILESCC(=O)N1CCC[C@H](OCC(=O)O)C1
InChIInChI=1S/C9H15NO4/c1-7(11)10-4-2-3-8(5-10)14-6-9(12)13/h8H,2-6H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyXKDHHJGQUCIMMM-QMMMGPOBSA-N
MW201.22 g/mol
LogP0.10
Rot. Bonds3

About 2-[(3S)-1-acetylpiperidin-3-yl]oxyacetic acid

2-[(3S)-1-acetylpiperidin-3-yl]oxyacetic acid (PubChem CID 66563759) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[(3S)-1-acetylpiperidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[(3S)-1-acetylpiperidin-3-yl]oxyacetic acid
PubChem CID66563759
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[(3S)-1-acetylpiperidin-3-yl]oxyacetic acid
SMILESCC(=O)N1CCC[C@H](OCC(=O)O)C1
InChIInChI=1S/C9H15NO4/c1-7(11)10-4-2-3-8(5-10)14-6-9(12)13/h8H,2-6H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyXKDHHJGQUCIMMM-QMMMGPOBSA-N
XLogP0.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754
1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;ethane
CID 157038041
2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid
CID 96885372
1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone
CID 57091302
[(3R)-1-acetylpiperidin-3-yl] methanesulfonate
CID 171614993
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
2-[1-(3-hydroxypiperidine-1-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63877317
2-cycloheptyloxyacetic acid
CID 61069533
2-cyclododecyloxyacetic acid
CID 19371812
2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]acetic acid
CID 55004213
1-acetylpiperidine-3-carboxylic acid
CID 14043896
1-(3-hydroxypiperidin-1-yl)ethanone;methanethiol
CID 143678194

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-acetylpiperidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[(3S)-1-acetylpiperidin-3-yl]oxyacetic acid (CID 66563759) is 2-[(3S)-1-acetylpiperidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[(3S)-1-acetylpiperidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[(3S)-1-acetylpiperidin-3-yl]oxyacetic acid is CC(=O)N1CCC[C@H](OCC(=O)O)C1.
What is the InChIKey of 2-[(3S)-1-acetylpiperidin-3-yl]oxyacetic acid?
The InChIKey is XKDHHJGQUCIMMM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15NO4/c1-7(11)10-4-2-3-8(5-10)14-6-9(12)13/h8H,2-6H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of 2-[(3S)-1-acetylpiperidin-3-yl]oxyacetic acid?
2-[(3S)-1-acetylpiperidin-3-yl]oxyacetic acid has a molecular weight of 201.22 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-acetylpiperidin-3-yl]oxyacetic acid is sourced from PubChem (CID 66563759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).