3-(3-ethyl-3-hydroxypiperidin-1-yl)-3-oxopropanoic acid

C10H17NO4 — CID 167858409

IUPAC3-(3-ethyl-3-hydroxypiperidin-1-yl)-3-oxopropanoic acid
SMILESCCC1(O)CCCN(C(=O)CC(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-2-10(15)4-3-5-11(7-10)8(12)6-9(13)14/h15H,2-7H2,1H3,(H,13,14)
InChIKeyYBYNWYSJDWINCO-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.22
Rot. Bonds3

About 3-(3-ethyl-3-hydroxypiperidin-1-yl)-3-oxopropanoic acid

3-(3-ethyl-3-hydroxypiperidin-1-yl)-3-oxopropanoic acid (PubChem CID 167858409) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(3-ethyl-3-hydroxypiperidin-1-yl)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(3-ethyl-3-hydroxypiperidin-1-yl)-3-oxopropanoic acid
PubChem CID167858409
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-(3-ethyl-3-hydroxypiperidin-1-yl)-3-oxopropanoic acid
SMILESCCC1(O)CCCN(C(=O)CC(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-2-10(15)4-3-5-11(7-10)8(12)6-9(13)14/h15H,2-7H2,1H3,(H,13,14)
InChIKeyYBYNWYSJDWINCO-UHFFFAOYSA-N
XLogP0.22
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.22
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

(3S)-3-ethyl-1-methylpiperidin-3-ol
CID 177186761
(3-ethyl-3-hydroxyazetidin-1-yl)-piperidin-1-ylmethanone
CID 79156175
2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 107214560
methyl 3-(ethylaminomethyl)-3-hydroxypiperidine-1-carboxylate
CID 14578462
1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
CID 127370172
1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103557185
2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid
CID 80503158
3-ethyl-1-propan-2-ylpiperidin-3-ol
CID 121277357
(3R)-3-ethyl-1-(2-methylsulfanylacetyl)piperidine-3-carboxylic acid
CID 95017438
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
1-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 56892056
1-(4-ethyl-4-hydroxypiperidin-1-yl)propan-1-one
CID 131155505

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-3-hydroxypiperidin-1-yl)-3-oxopropanoic acid?
The IUPAC name of 3-(3-ethyl-3-hydroxypiperidin-1-yl)-3-oxopropanoic acid (CID 167858409) is 3-(3-ethyl-3-hydroxypiperidin-1-yl)-3-oxopropanoic acid.
What is the SMILES notation for 3-(3-ethyl-3-hydroxypiperidin-1-yl)-3-oxopropanoic acid?
The canonical SMILES for 3-(3-ethyl-3-hydroxypiperidin-1-yl)-3-oxopropanoic acid is CCC1(O)CCCN(C(=O)CC(=O)O)C1.
What is the InChIKey of 3-(3-ethyl-3-hydroxypiperidin-1-yl)-3-oxopropanoic acid?
The InChIKey is YBYNWYSJDWINCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-10(15)4-3-5-11(7-10)8(12)6-9(13)14/h15H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-(3-ethyl-3-hydroxypiperidin-1-yl)-3-oxopropanoic acid?
3-(3-ethyl-3-hydroxypiperidin-1-yl)-3-oxopropanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-3-hydroxypiperidin-1-yl)-3-oxopropanoic acid is sourced from PubChem (CID 167858409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).