1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid

C13H23NO4 — CID 106005703

IUPAC1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESCC(C)OCCCCNC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C13H23NO4/c1-10(2)18-9-4-3-8-14-11(15)13(12(16)17)6-5-7-13/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyKELYTYOFGIUCPD-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.56
Rot. Bonds8

About 1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid

1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 106005703) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID106005703
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESCC(C)OCCCCNC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C13H23NO4/c1-10(2)18-9-4-3-8-14-11(15)13(12(16)17)6-5-7-13/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyKELYTYOFGIUCPD-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide
CID 106011328
1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 106004382
1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 106011493
6-propan-2-yloxyhexylcarbamic acid
CID 126658630
1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096609
2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide
CID 114137021
N-(4-propan-2-yloxybutyl)-2-propylpyrrolidine-2-carboxamide
CID 106011154
1-amino-3-ethoxy-2,2-dimethyl-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide
CID 106011244
2,3-dimethyl-4-oxo-4-(4-propan-2-yloxybutylamino)butanoic acid
CID 106003621
1-[2-(4-propan-2-yloxyanilino)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 166275715
1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096934
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid (CID 106005703) is 1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid is CC(C)OCCCCNC(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is KELYTYOFGIUCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-10(2)18-9-4-3-8-14-11(15)13(12(16)17)6-5-7-13/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid?
1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 106005703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).