3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid

C13H22N2O5 — CID 106836803

IUPAC3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
SMILESCC(O)C1CCN(C(=O)NC2(C(=O)O)CCOC2)CC1
InChIInChI=1S/C13H22N2O5/c1-9(16)10-2-5-15(6-3-10)12(19)14-13(11(17)18)4-7-20-8-13/h9-10,16H,2-8H2,1H3,(H,14,19)(H,17,18)
InChIKeySUDZWGPTXBPMRK-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.03
Rot. Bonds3

About 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid

3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid (PubChem CID 106836803) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
PubChem CID106836803
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
SMILESCC(O)C1CCN(C(=O)NC2(C(=O)O)CCOC2)CC1
InChIInChI=1S/C13H22N2O5/c1-9(16)10-2-5-15(6-3-10)12(19)14-13(11(17)18)4-7-20-8-13/h9-10,16H,2-8H2,1H3,(H,14,19)(H,17,18)
InChIKeySUDZWGPTXBPMRK-UHFFFAOYSA-N
XLogP0.03
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 64893474
3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64892475
3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 79165623
3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 114082343
4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115293181
3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid
CID 120532697
3-[2-(oxan-4-yl)propanoylamino]oxolane-3-carboxylic acid
CID 120688768
4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115293203
3-[(2-methylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64891868
3-(2-methylbutanoylamino)oxolane-3-carboxylic acid
CID 64888643
3-[(3-methylmorpholine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 64891042
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115293156

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid (CID 106836803) is 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid is CC(O)C1CCN(C(=O)NC2(C(=O)O)CCOC2)CC1.
What is the InChIKey of 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid?
The InChIKey is SUDZWGPTXBPMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-9(16)10-2-5-15(6-3-10)12(19)14-13(11(17)18)4-7-20-8-13/h9-10,16H,2-8H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid?
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 106836803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).