2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid

C9H15NO4 — CID 131491204

IUPAC2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid
SMILESCC(=O)N1CCCC(C(O)C(=O)O)C1
InChIInChI=1S/C9H15NO4/c1-6(11)10-4-2-3-7(5-10)8(12)9(13)14/h7-8,12H,2-5H2,1H3,(H,13,14)
InChIKeyVDSZSMJTLNTBLC-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.31
Rot. Bonds2

About 2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid

2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid (PubChem CID 131491204) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid
PubChem CID131491204
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid
SMILESCC(=O)N1CCCC(C(O)C(=O)O)C1
InChIInChI=1S/C9H15NO4/c1-6(11)10-4-2-3-7(5-10)8(12)9(13)14/h7-8,12H,2-5H2,1H3,(H,13,14)
InChIKeyVDSZSMJTLNTBLC-UHFFFAOYSA-N
XLogP-0.31
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-acetylpiperidin-3-yl)butanoic acid
CID 82613153
1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 66569291
1-acetylpiperidine-3-carboxylic acid
CID 14043896
(2S)-2-cyclobutyl-2-hydroxyacetic acid
CID 118175739
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
1-(3-cyclopentylpiperidin-1-yl)ethanone
CID 91592675
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705
(2R)-2-cycloheptyl-2-hydroxyacetic acid
CID 158640375
1-[(3R)-3-hydrazinylpiperidin-1-yl]ethanone
CID 129389074

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid (CID 131491204) is 2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid is CC(=O)N1CCCC(C(O)C(=O)O)C1.
What is the InChIKey of 2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid?
The InChIKey is VDSZSMJTLNTBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-6(11)10-4-2-3-7(5-10)8(12)9(13)14/h7-8,12H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid?
2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid has a molecular weight of 201.22 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 131491204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).