1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid

C11H18N2O4 — CID 62095418

IUPAC1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(NC(=O)C1(C(=O)O)CCC1)C(=O)N(C)C
InChIInChI=1S/C11H18N2O4/c1-7(8(14)13(2)3)12-9(15)11(10(16)17)5-4-6-11/h7H,4-6H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyTYFIJXHHLCHZJC-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.17
Rot. Bonds4

About 1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid

1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 62095418) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID62095418
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(NC(=O)C1(C(=O)O)CCC1)C(=O)N(C)C
InChIInChI=1S/C11H18N2O4/c1-7(8(14)13(2)3)12-9(15)11(10(16)17)5-4-6-11/h7H,4-6H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyTYFIJXHHLCHZJC-UHFFFAOYSA-N
XLogP-0.17
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid (CID 62095418) is 1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid is CC(NC(=O)C1(C(=O)O)CCC1)C(=O)N(C)C.
What is the InChIKey of 1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is TYFIJXHHLCHZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(8(14)13(2)3)12-9(15)11(10(16)17)5-4-6-11/h7H,4-6H2,1-3H3,(H,12,15)(H,16,17).
What are the key properties of 1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid?
1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62095418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).