1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid

C11H19NO4 — CID 53211434

IUPAC1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid
SMILESCCOCCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19NO4/c1-2-16-8-5-10(13)12-6-3-9(4-7-12)11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyJEMSYCHCGUHJLU-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.74
Rot. Bonds5

About 1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid

1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid (PubChem CID 53211434) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid
PubChem CID53211434
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid
SMILESCCOCCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19NO4/c1-2-16-8-5-10(13)12-6-3-9(4-7-12)11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyJEMSYCHCGUHJLU-UHFFFAOYSA-N
XLogP0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-1-piperidin-1-ylpropan-1-one
CID 63184381
2-[1-(3-ethoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869733
3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66291781
1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 43318547
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid
CID 62590443
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606
1-pent-4-ynoylpiperidine-4-carboxylic acid
CID 103840880
ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
CID 62590796
1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63030408
1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 81056899
1-[2-[(3-ethoxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103245400
1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid
CID 103400775

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid (CID 53211434) is 1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid is CCOCCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid?
The InChIKey is JEMSYCHCGUHJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-16-8-5-10(13)12-6-3-9(4-7-12)11(14)15/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid?
1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 53211434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).