3-(thiolane-2-carbonylamino)oxolane-3-carboxylic acid

C10H15NO4S — CID 64890928

IUPAC3-(thiolane-2-carbonylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)C1CCCS1
InChIInChI=1S/C10H15NO4S/c12-8(7-2-1-5-16-7)11-10(9(13)14)3-4-15-6-10/h7H,1-6H2,(H,11,12)(H,13,14)
InChIKeyVVAHERZROQZCFF-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.24
Rot. Bonds3

About 3-(thiolane-2-carbonylamino)oxolane-3-carboxylic acid

3-(thiolane-2-carbonylamino)oxolane-3-carboxylic acid (PubChem CID 64890928) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-(thiolane-2-carbonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(thiolane-2-carbonylamino)oxolane-3-carboxylic acid
PubChem CID64890928
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name3-(thiolane-2-carbonylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)C1CCCS1
InChIInChI=1S/C10H15NO4S/c12-8(7-2-1-5-16-7)11-10(9(13)14)3-4-15-6-10/h7H,1-6H2,(H,11,12)(H,13,14)
InChIKeyVVAHERZROQZCFF-UHFFFAOYSA-N
XLogP0.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
CID 64889873
N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]thiolane-2-carboxamide
CID 77021518
3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid
CID 120532697
3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid
CID 103925898
3-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
CID 64889977
3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid
CID 64889178
3-(cycloheptylamino)oxolane-3-carboxylic acid
CID 63333317
3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 79350166
3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64892875
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiane-2-carboxamide
CID 80596644
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
3-[(5-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 114824486

Frequently Asked Questions

What is the IUPAC name of 3-(thiolane-2-carbonylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(thiolane-2-carbonylamino)oxolane-3-carboxylic acid (CID 64890928) is 3-(thiolane-2-carbonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(thiolane-2-carbonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(thiolane-2-carbonylamino)oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)C1CCCS1.
What is the InChIKey of 3-(thiolane-2-carbonylamino)oxolane-3-carboxylic acid?
The InChIKey is VVAHERZROQZCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c12-8(7-2-1-5-16-7)11-10(9(13)14)3-4-15-6-10/h7H,1-6H2,(H,11,12)(H,13,14).
What are the key properties of 3-(thiolane-2-carbonylamino)oxolane-3-carboxylic acid?
3-(thiolane-2-carbonylamino)oxolane-3-carboxylic acid has a molecular weight of 245.30 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolane-2-carbonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 64890928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).