1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid

C13H21NO3 — CID 79872940

IUPAC1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCC1(C)CCCC1NC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C13H21NO3/c1-12(2)6-3-5-9(12)14-10(15)13(11(16)17)7-4-8-13/h9H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFJHBWNOIALXGEI-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.94
Rot. Bonds3

About 1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid

1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 79872940) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID79872940
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCC1(C)CCCC1NC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C13H21NO3/c1-12(2)6-3-5-9(12)14-10(15)13(11(16)17)7-4-8-13/h9H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFJHBWNOIALXGEI-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
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-[(2,2-dimethylcyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 79872940) is 1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid is CC1(C)CCCC1NC(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is FJHBWNOIALXGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-12(2)6-3-5-9(12)14-10(15)13(11(16)17)7-4-8-13/h9H,3-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid?
1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 79872940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).