2-[(2-methylpropan-2-yl)oxycarbamoyl]cyclopropane-1-carboxylic acid

C9H15NO4 — CID 82719952

IUPAC2-[(2-methylpropan-2-yl)oxycarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)(C)ONC(=O)C1CC1C(=O)O
InChIInChI=1S/C9H15NO4/c1-9(2,3)14-10-7(11)5-4-6(5)8(12)13/h5-6H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeySJXWDZNQWUWJHJ-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.55
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxycarbamoyl]cyclopropane-1-carboxylic acid

2-[(2-methylpropan-2-yl)oxycarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 82719952) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID82719952
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)(C)ONC(=O)C1CC1C(=O)O
InChIInChI=1S/C9H15NO4/c1-9(2,3)14-10-7(11)5-4-6(5)8(12)13/h5-6H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeySJXWDZNQWUWJHJ-UHFFFAOYSA-N
XLogP0.55
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbamoyl]cyclopropane-1-carboxylic acid (CID 82719952) is 2-[(2-methylpropan-2-yl)oxycarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbamoyl]cyclopropane-1-carboxylic acid is CC(C)(C)ONC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is SJXWDZNQWUWJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-9(2,3)14-10-7(11)5-4-6(5)8(12)13/h5-6H,4H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbamoyl]cyclopropane-1-carboxylic acid?
2-[(2-methylpropan-2-yl)oxycarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82719952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).