5-(2-methylpropylcarbamoyl)-1,3-dioxolane-4-carboxylic acid

C9H15NO5 — CID 123573131

IUPAC5-(2-methylpropylcarbamoyl)-1,3-dioxolane-4-carboxylic acid
SMILESCC(C)CNC(=O)C1OCOC1C(=O)O
InChIInChI=1S/C9H15NO5/c1-5(2)3-10-8(11)6-7(9(12)13)15-4-14-6/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyJJSXNBGQAOVCLL-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.42
Rot. Bonds4

About 5-(2-methylpropylcarbamoyl)-1,3-dioxolane-4-carboxylic acid

5-(2-methylpropylcarbamoyl)-1,3-dioxolane-4-carboxylic acid (PubChem CID 123573131) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 5-(2-methylpropylcarbamoyl)-1,3-dioxolane-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpropylcarbamoyl)-1,3-dioxolane-4-carboxylic acid
PubChem CID123573131
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name5-(2-methylpropylcarbamoyl)-1,3-dioxolane-4-carboxylic acid
SMILESCC(C)CNC(=O)C1OCOC1C(=O)O
InChIInChI=1S/C9H15NO5/c1-5(2)3-10-8(11)6-7(9(12)13)15-4-14-6/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyJJSXNBGQAOVCLL-UHFFFAOYSA-N
XLogP-0.42
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S,3S,4R)-3-(2-methylpropylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 50903587
2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3133162
3-(2-methylpropylcarbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 82036716
4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511327
(1R,2S,3R,4S)-3-(2-methylpropylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11863633
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-(2-methylpropyl)cyclobut-2-ene-1-carboxamide
CID 141170408
(E)-5-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-2-enamide
CID 140688186
4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144258
4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109145227
(2R,5S)-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102945643
2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide
CID 62364363

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylcarbamoyl)-1,3-dioxolane-4-carboxylic acid?
The IUPAC name of 5-(2-methylpropylcarbamoyl)-1,3-dioxolane-4-carboxylic acid (CID 123573131) is 5-(2-methylpropylcarbamoyl)-1,3-dioxolane-4-carboxylic acid.
What is the SMILES notation for 5-(2-methylpropylcarbamoyl)-1,3-dioxolane-4-carboxylic acid?
The canonical SMILES for 5-(2-methylpropylcarbamoyl)-1,3-dioxolane-4-carboxylic acid is CC(C)CNC(=O)C1OCOC1C(=O)O.
What is the InChIKey of 5-(2-methylpropylcarbamoyl)-1,3-dioxolane-4-carboxylic acid?
The InChIKey is JJSXNBGQAOVCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-5(2)3-10-8(11)6-7(9(12)13)15-4-14-6/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 5-(2-methylpropylcarbamoyl)-1,3-dioxolane-4-carboxylic acid?
5-(2-methylpropylcarbamoyl)-1,3-dioxolane-4-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylcarbamoyl)-1,3-dioxolane-4-carboxylic acid is sourced from PubChem (CID 123573131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).