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

C14H25NO4 — CID 55034939

IUPAC1-[2-methoxyethyl(pentan-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCCC(CC)N(CCOC)C(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C14H25NO4/c1-4-11(5-2)15(9-10-19-3)12(16)14(13(17)18)7-6-8-14/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyPDUNBGCAHYCWOX-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.90
Rot. Bonds8

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

1-[2-methoxyethyl(pentan-3-yl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 55034939) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-methoxyethyl(pentan-3-yl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-methoxyethyl(pentan-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID55034939
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name1-[2-methoxyethyl(pentan-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCCC(CC)N(CCOC)C(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C14H25NO4/c1-4-11(5-2)15(9-10-19-3)12(16)14(13(17)18)7-6-8-14/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyPDUNBGCAHYCWOX-UHFFFAOYSA-N
XLogP1.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(pentan-3-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-methoxyethyl(pentan-3-yl)carbamoyl]cyclobutane-1-carboxylic acid (CID 55034939) is 1-[2-methoxyethyl(pentan-3-yl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-methoxyethyl(pentan-3-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-methoxyethyl(pentan-3-yl)carbamoyl]cyclobutane-1-carboxylic acid is CCC(CC)N(CCOC)C(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[2-methoxyethyl(pentan-3-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is PDUNBGCAHYCWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-11(5-2)15(9-10-19-3)12(16)14(13(17)18)7-6-8-14/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 1-[2-methoxyethyl(pentan-3-yl)carbamoyl]cyclobutane-1-carboxylic acid?
1-[2-methoxyethyl(pentan-3-yl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(pentan-3-yl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 55034939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).