2,2-dimethyl-3-[(2-oxooxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid

C11H15NO5 — CID 65417909

IUPAC2,2-dimethyl-3-[(2-oxooxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NC1CCOC1=O
InChIInChI=1S/C11H15NO5/c1-11(2)6(7(11)9(14)15)8(13)12-5-3-4-17-10(5)16/h5-7H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyVHOSDJNEXVTSPJ-UHFFFAOYSA-N
MW241.24 g/mol
LogP-0.23
Rot. Bonds3

About 2,2-dimethyl-3-[(2-oxooxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid

2,2-dimethyl-3-[(2-oxooxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 65417909) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-oxooxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-oxooxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID65417909
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name2,2-dimethyl-3-[(2-oxooxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NC1CCOC1=O
InChIInChI=1S/C11H15NO5/c1-11(2)6(7(11)9(14)15)8(13)12-5-3-4-17-10(5)16/h5-7H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyVHOSDJNEXVTSPJ-UHFFFAOYSA-N
XLogP-0.23
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-oxooxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-[(2-oxooxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 65417909) is 2,2-dimethyl-3-[(2-oxooxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(2-oxooxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-[(2-oxooxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(=O)NC1CCOC1=O.
What is the InChIKey of 2,2-dimethyl-3-[(2-oxooxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is VHOSDJNEXVTSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-11(2)6(7(11)9(14)15)8(13)12-5-3-4-17-10(5)16/h5-7H,3-4H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2,2-dimethyl-3-[(2-oxooxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-[(2-oxooxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-oxooxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65417909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).