1-[cycloheptyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid

C14H23NO3 — CID 62097310

IUPAC1-[cycloheptyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCN(C(=O)C1(C(=O)O)CCC1)C1CCCCCC1
InChIInChI=1S/C14H23NO3/c1-15(11-7-4-2-3-5-8-11)12(16)14(13(17)18)9-6-10-14/h11H,2-10H2,1H3,(H,17,18)
InChIKeyCGEUBPHOZVVJNS-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.42
Rot. Bonds3

About 1-[cycloheptyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid

1-[cycloheptyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 62097310) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[cycloheptyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[cycloheptyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID62097310
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[cycloheptyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCN(C(=O)C1(C(=O)O)CCC1)C1CCCCCC1
InChIInChI=1S/C14H23NO3/c1-15(11-7-4-2-3-5-8-11)12(16)14(13(17)18)9-6-10-14/h11H,2-10H2,1H3,(H,17,18)
InChIKeyCGEUBPHOZVVJNS-UHFFFAOYSA-N
XLogP2.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[cycloheptyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[cycloheptyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 62097310) is 1-[cycloheptyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[cycloheptyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[cycloheptyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid is CN(C(=O)C1(C(=O)O)CCC1)C1CCCCCC1.
What is the InChIKey of 1-[cycloheptyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is CGEUBPHOZVVJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-15(11-7-4-2-3-5-8-11)12(16)14(13(17)18)9-6-10-14/h11H,2-10H2,1H3,(H,17,18).
What are the key properties of 1-[cycloheptyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid?
1-[cycloheptyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cycloheptyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62097310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).