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

C11H18N2O4 — CID 64892260

IUPAC3-[(2,2-dimethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCC1(C)CC1NC(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H18N2O4/c1-10(2)5-7(10)12-9(16)13-11(8(14)15)3-4-17-6-11/h7H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyIFIQULSUHDSHRR-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.33
Rot. Bonds3

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

3-[(2,2-dimethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 64892260) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID64892260
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-[(2,2-dimethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCC1(C)CC1NC(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H18N2O4/c1-10(2)5-7(10)12-9(16)13-11(8(14)15)3-4-17-6-11/h7H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyIFIQULSUHDSHRR-UHFFFAOYSA-N
XLogP0.33
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 79350166
(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-[(3,3,5-trimethylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid
CID 120532834
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-methylsulfanylpropylcarbamoylamino)oxolane-3-carboxylic acid
CID 64894112
3-[3-(ethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 64893471
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 82768356

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2,2-dimethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid (CID 64892260) is 3-[(2,2-dimethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2,2-dimethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2,2-dimethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid is CC1(C)CC1NC(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[(2,2-dimethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is IFIQULSUHDSHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-10(2)5-7(10)12-9(16)13-11(8(14)15)3-4-17-6-11/h7H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 3-[(2,2-dimethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid?
3-[(2,2-dimethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64892260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).