4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid

C12H22N2O4 — CID 66266712

IUPAC4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCC(C)(C)C)C1COCC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-12(2,3)7-13-11(17)14(4)9-6-18-5-8(9)10(15)16/h8-9H,5-7H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyQSJAOCZGCLBCNP-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.77
Rot. Bonds3

About 4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid

4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 66266712) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID66266712
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCC(C)(C)C)C1COCC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-12(2,3)7-13-11(17)14(4)9-6-18-5-8(9)10(15)16/h8-9H,5-7H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyQSJAOCZGCLBCNP-UHFFFAOYSA-N
XLogP0.77
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 115356702
4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 83113561
4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66265543
4-[3-cyclopentylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 106005375
4-[methyl-[(1-methylcyclopentyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66267710
4-[methyl(3-methylsulfanylpropylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66265349
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
4-[1,4-dioxan-2-ylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266117
4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265735
4-[(3,5-dimethylcyclohexyl)carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265351
4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267863

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid (CID 66266712) is 4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid is CN(C(=O)NCC(C)(C)C)C1COCC1C(=O)O.
What is the InChIKey of 4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is QSJAOCZGCLBCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,3)7-13-11(17)14(4)9-6-18-5-8(9)10(15)16/h8-9H,5-7H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid?
4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66266712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).