1-[tert-butyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid

C11H19NO3 — CID 115183835

IUPAC1-[tert-butyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCN(C(=O)C1(C(=O)O)CCC1)C(C)(C)C
InChIInChI=1S/C11H19NO3/c1-10(2,3)12(4)8(13)11(9(14)15)6-5-7-11/h5-7H2,1-4H3,(H,14,15)
InChIKeyZRHZQZWTVRWKLL-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds2

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

1-[tert-butyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 115183835) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[tert-butyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[tert-butyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID115183835
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-[tert-butyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCN(C(=O)C1(C(=O)O)CCC1)C(C)(C)C
InChIInChI=1S/C11H19NO3/c1-10(2,3)12(4)8(13)11(9(14)15)6-5-7-11/h5-7H2,1-4H3,(H,14,15)
InChIKeyZRHZQZWTVRWKLL-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
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-[tert-butyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[tert-butyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 115183835) is 1-[tert-butyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[tert-butyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[tert-butyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid is CN(C(=O)C1(C(=O)O)CCC1)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is ZRHZQZWTVRWKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,3)12(4)8(13)11(9(14)15)6-5-7-11/h5-7H2,1-4H3,(H,14,15).
What are the key properties of 1-[tert-butyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid?
1-[tert-butyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115183835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).