3-methyl-4-(oxolane-3-carbonylamino)oxolane-3-carboxylic acid

C11H17NO5 — CID 66256802

IUPAC3-methyl-4-(oxolane-3-carbonylamino)oxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)C1CCOC1
InChIInChI=1S/C11H17NO5/c1-11(10(14)15)6-17-5-8(11)12-9(13)7-2-3-16-4-7/h7-8H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyHDCXZLSWWMJHQJ-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.37
Rot. Bonds3

About 3-methyl-4-(oxolane-3-carbonylamino)oxolane-3-carboxylic acid

3-methyl-4-(oxolane-3-carbonylamino)oxolane-3-carboxylic acid (PubChem CID 66256802) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-methyl-4-(oxolane-3-carbonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-(oxolane-3-carbonylamino)oxolane-3-carboxylic acid
PubChem CID66256802
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name3-methyl-4-(oxolane-3-carbonylamino)oxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)C1CCOC1
InChIInChI=1S/C11H17NO5/c1-11(10(14)15)6-17-5-8(11)12-9(13)7-2-3-16-4-7/h7-8H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyHDCXZLSWWMJHQJ-UHFFFAOYSA-N
XLogP-0.37
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid
CID 66255483
1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 82760447
3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid
CID 66249534
4-acetamido-3-methyloxolane-3-carboxylic acid
CID 66256805
3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 83193572
3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175667
3-methyl-4-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66248512
4-[(4-aminooxolane-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66249530
4-(butanoylamino)-3-methyloxolane-3-carboxylic acid
CID 66255086
3-methyl-4-[(4-methylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66250893
4-[(2-cyclopentylacetyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66256630
4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66248351

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(oxolane-3-carbonylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-(oxolane-3-carbonylamino)oxolane-3-carboxylic acid (CID 66256802) is 3-methyl-4-(oxolane-3-carbonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-(oxolane-3-carbonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-(oxolane-3-carbonylamino)oxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)C1CCOC1.
What is the InChIKey of 3-methyl-4-(oxolane-3-carbonylamino)oxolane-3-carboxylic acid?
The InChIKey is HDCXZLSWWMJHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-11(10(14)15)6-17-5-8(11)12-9(13)7-2-3-16-4-7/h7-8H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-methyl-4-(oxolane-3-carbonylamino)oxolane-3-carboxylic acid?
3-methyl-4-(oxolane-3-carbonylamino)oxolane-3-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(oxolane-3-carbonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66256802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).