3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid

C13H22N2O4 — CID 79350166

IUPAC3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCC1(C)C(NC(=O)NC2(C(=O)O)CCOC2)C1(C)C
InChIInChI=1S/C13H22N2O4/c1-11(2)8(12(11,3)4)14-10(18)15-13(9(16)17)5-6-19-7-13/h8H,5-7H2,1-4H3,(H,16,17)(H2,14,15,18)
InChIKeyQWVYQUXPPIJTRX-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.96
Rot. Bonds3

About 3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid

3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 79350166) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID79350166
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCC1(C)C(NC(=O)NC2(C(=O)O)CCOC2)C1(C)C
InChIInChI=1S/C13H22N2O4/c1-11(2)8(12(11,3)4)14-10(18)15-13(9(16)17)5-6-19-7-13/h8H,5-7H2,1-4H3,(H,16,17)(H2,14,15,18)
InChIKeyQWVYQUXPPIJTRX-UHFFFAOYSA-N
XLogP0.96
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,2-dimethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 64892260
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]oxolane-3-carboxylic acid
CID 64894117
3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 64893261
3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64892875
3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66262638
3-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)oxolane-3-carboxylic acid
CID 64892065
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
3-[3-(ethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 64893471
3-(3-methylsulfanylpropylcarbamoylamino)oxolane-3-carboxylic acid
CID 64894112
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 82768356
3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
CID 45026943

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid (CID 79350166) is 3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid is CC1(C)C(NC(=O)NC2(C(=O)O)CCOC2)C1(C)C.
What is the InChIKey of 3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is QWVYQUXPPIJTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-11(2)8(12(11,3)4)14-10(18)15-13(9(16)17)5-6-19-7-13/h8H,5-7H2,1-4H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid?
3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 79350166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).