1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclobutane-1-carboxylic acid

C13H23NO5 — CID 55034796

IUPAC1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCOCCCN(CCOC)C(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C13H23NO5/c1-18-9-4-7-14(8-10-19-2)11(15)13(12(16)17)5-3-6-13/h3-10H2,1-2H3,(H,16,17)
InChIKeyQRQZROCLMLJKDW-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.75
Rot. Bonds9

About 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclobutane-1-carboxylic acid

1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 55034796) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID55034796
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCOCCCN(CCOC)C(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C13H23NO5/c1-18-9-4-7-14(8-10-19-2)11(15)13(12(16)17)5-3-6-13/h3-10H2,1-2H3,(H,16,17)
InChIKeyQRQZROCLMLJKDW-UHFFFAOYSA-N
XLogP0.75
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 55034796) is 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclobutane-1-carboxylic acid is COCCCN(CCOC)C(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is QRQZROCLMLJKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-18-9-4-7-14(8-10-19-2)11(15)13(12(16)17)5-3-6-13/h3-10H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclobutane-1-carboxylic acid?
1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 0.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 55034796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).