3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid

C10H17NO4 — CID 114898816

IUPAC3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C10H17NO4/c1-7(9(13)14)8(12)11-5-3-10(2,15)4-6-11/h7,15H,3-6H2,1-2H3,(H,13,14)
InChIKeyBCNAOGOGHDZEPH-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.08
Rot. Bonds2

About 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid

3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid (PubChem CID 114898816) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
PubChem CID114898816
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C10H17NO4/c1-7(9(13)14)8(12)11-5-3-10(2,15)4-6-11/h7,15H,3-6H2,1-2H3,(H,13,14)
InChIKeyBCNAOGOGHDZEPH-UHFFFAOYSA-N
XLogP0.08
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-3-oxopropanoic acid
CID 114898383
2-methyl-3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropanoic acid
CID 122065781
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
1-(4-hydroxy-4-methylazepan-1-yl)-2-sulfanylpropan-1-one
CID 107408928
1-(4-hydroxy-4-methylazepan-1-yl)-2,3-dimethylbutan-1-one
CID 107406135
1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one
CID 107406143
N-[1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 80702651
(2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone
CID 81102948
3-(4-acetamidopiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114898933
2-chloro-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103881681
2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103355859
(2S)-2-amino-1-(4-hydroxy-4-methylazepan-1-yl)-4-methylpentan-1-one
CID 107404240

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid (CID 114898816) is 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid is CC(C(=O)O)C(=O)N1CCC(C)(O)CC1.
What is the InChIKey of 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid?
The InChIKey is BCNAOGOGHDZEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(9(13)14)8(12)11-5-3-10(2,15)4-6-11/h7,15H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid?
3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 114898816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).