1-[(1-methylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid

C13H21NO3 — CID 63831808

IUPAC1-[(1-methylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCC1(CNC(=O)C2(C(=O)O)CCC2)CCCC1
InChIInChI=1S/C13H21NO3/c1-12(5-2-3-6-12)9-14-10(15)13(11(16)17)7-4-8-13/h2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyUQJJDGUOJOSCDI-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.94
Rot. Bonds4

About 1-[(1-methylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid

1-[(1-methylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 63831808) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-[(1-methylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID63831808
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-[(1-methylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCC1(CNC(=O)C2(C(=O)O)CCC2)CCCC1
InChIInChI=1S/C13H21NO3/c1-12(5-2-3-6-12)9-14-10(15)13(11(16)17)7-4-8-13/h2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyUQJJDGUOJOSCDI-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-[(1-methylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1-methylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 63831808) is 1-[(1-methylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid is CC1(CNC(=O)C2(C(=O)O)CCC2)CCCC1.
What is the InChIKey of 1-[(1-methylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is UQJJDGUOJOSCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-12(5-2-3-6-12)9-14-10(15)13(11(16)17)7-4-8-13/h2-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(1-methylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
1-[(1-methylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 63831808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).