1-[1-(2-ethoxyethyl)cyclobutanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid

C15H25NO5 — CID 120528116

IUPAC1-[1-(2-ethoxyethyl)cyclobutanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESCCOCCC1(C(=O)N2CCC(O)(C(=O)O)CC2)CCC1
InChIInChI=1S/C15H25NO5/c1-2-21-11-8-14(4-3-5-14)12(17)16-9-6-15(20,7-10-16)13(18)19/h20H,2-11H2,1H3,(H,18,19)
InChIKeySKGKXCZQORQZMJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.02
Rot. Bonds6

About 1-[1-(2-ethoxyethyl)cyclobutanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid

1-[1-(2-ethoxyethyl)cyclobutanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 120528116) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[1-(2-ethoxyethyl)cyclobutanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-ethoxyethyl)cyclobutanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID120528116
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name1-[1-(2-ethoxyethyl)cyclobutanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESCCOCCC1(C(=O)N2CCC(O)(C(=O)O)CC2)CCC1
InChIInChI=1S/C15H25NO5/c1-2-21-11-8-14(4-3-5-14)12(17)16-9-6-15(20,7-10-16)13(18)19/h20H,2-11H2,1H3,(H,18,19)
InChIKeySKGKXCZQORQZMJ-UHFFFAOYSA-N
XLogP1.02
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethoxyethyl)-1-hydroxypiperidine-4-carboxylic acid
CID 170591669
1-(2-ethoxyethyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 65390385
(2S)-2-[[1-(2-ethoxyethyl)cyclobutanecarbonyl]amino]propanoic acid
CID 120525927
1-(ethoxymethyl)cyclobutane-1-carboxylic acid
CID 97033935
(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride
CID 119375948
[1-(2-ethoxyethyl)cyclopentyl]-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 97228687
[1-(2-ethoxyethyl)cyclobutyl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129339225
(3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124685754
2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid
CID 119178068
1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone
CID 122212870
1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid
CID 123411679
cyclobutane-1,1-dicarboxylic acid;ethoxyethane
CID 174756320

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyethyl)cyclobutanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(2-ethoxyethyl)cyclobutanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid (CID 120528116) is 1-[1-(2-ethoxyethyl)cyclobutanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2-ethoxyethyl)cyclobutanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(2-ethoxyethyl)cyclobutanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid is CCOCCC1(C(=O)N2CCC(O)(C(=O)O)CC2)CCC1.
What is the InChIKey of 1-[1-(2-ethoxyethyl)cyclobutanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is SKGKXCZQORQZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-2-21-11-8-14(4-3-5-14)12(17)16-9-6-15(20,7-10-16)13(18)19/h20H,2-11H2,1H3,(H,18,19).
What are the key properties of 1-[1-(2-ethoxyethyl)cyclobutanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[1-(2-ethoxyethyl)cyclobutanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyethyl)cyclobutanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 120528116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).