1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid

C10H17NO4 — CID 170458411

IUPAC1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid
SMILESCCOC(=O)CN1CCCC(C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-2-15-9(12)7-11-5-3-4-8(6-11)10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyDSBABLQERQZXOY-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.35
Rot. Bonds4

About 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid

1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid (PubChem CID 170458411) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid
PubChem CID170458411
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid
SMILESCCOC(=O)CN1CCCC(C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-2-15-9(12)7-11-5-3-4-8(6-11)10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyDSBABLQERQZXOY-UHFFFAOYSA-N
XLogP0.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylate
CID 53421319
1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385879
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
CID 52903753
ethyl 2-(azocan-1-yl)acetate
CID 25219274
ethyl 2-(3-tert-butylpiperidin-1-yl)acetate
CID 176945818
ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]acetate
CID 62356988
1-(4-ethoxy-4-oxobutanoyl)piperidine-3-carboxylic acid
CID 43355863
ethyl 2-[3-(ethylamino)piperidin-1-yl]acetate
CID 83990671
1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385852
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385889
1-(methoxymethyl)piperidine-3-carboxylic acid
CID 67043579
ethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate
CID 103484634

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid (CID 170458411) is 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid is CCOC(=O)CN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid?
The InChIKey is DSBABLQERQZXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-15-9(12)7-11-5-3-4-8(6-11)10(13)14/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid?
1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 170458411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).