5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid

C10H17NO5 — CID 102688926

IUPAC5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC(CO)N(C)C(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C10H17NO5/c1-6(5-12)11(2)9(13)7-3-4-8(16-7)10(14)15/h6-8,12H,3-5H2,1-2H3,(H,14,15)
InChIKeyZOVZFVXSEAZOKI-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.54
Rot. Bonds4

About 5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid

5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688926) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102688926
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC(CO)N(C)C(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C10H17NO5/c1-6(5-12)11(2)9(13)7-3-4-8(16-7)10(14)15/h6-8,12H,3-5H2,1-2H3,(H,14,15)
InChIKeyZOVZFVXSEAZOKI-UHFFFAOYSA-N
XLogP-0.54
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-[methyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944175
5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide
CID 104551738
5-[1-cyclopropylethyl(methyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687681
N-(1-hydroxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 115765115
N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide
CID 115869363
(2R,5S)-5-[methyl(2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945287
(2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944218
5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688222
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687792
5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687708
5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688711

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid (CID 102688926) is 5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid is CC(CO)N(C)C(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is ZOVZFVXSEAZOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-6(5-12)11(2)9(13)7-3-4-8(16-7)10(14)15/h6-8,12H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid?
5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).