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

C13H21N3O5 — CID 64893474

IUPAC3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
SMILESCNC(=O)C1CCN(C(=O)NC2(C(=O)O)CCOC2)CC1
InChIInChI=1S/C13H21N3O5/c1-14-10(17)9-2-5-16(6-3-9)12(20)15-13(11(18)19)4-7-21-8-13/h9H,2-8H2,1H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyKNDXLKLAUJGCHN-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.60
Rot. Bonds3

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

3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid (PubChem CID 64893474) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
PubChem CID64893474
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
SMILESCNC(=O)C1CCN(C(=O)NC2(C(=O)O)CCOC2)CC1
InChIInChI=1S/C13H21N3O5/c1-14-10(17)9-2-5-16(6-3-9)12(20)15-13(11(18)19)4-7-21-8-13/h9H,2-8H2,1H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyKNDXLKLAUJGCHN-UHFFFAOYSA-N
XLogP-0.60
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 106836803
3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 114082343
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-[(2-methylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64891868
4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115293181
3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid
CID 120532697
4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115293203
3-[(2,3-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64891666
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
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid (CID 64893474) is 3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid is CNC(=O)C1CCN(C(=O)NC2(C(=O)O)CCOC2)CC1.
What is the InChIKey of 3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid?
The InChIKey is KNDXLKLAUJGCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-14-10(17)9-2-5-16(6-3-9)12(20)15-13(11(18)19)4-7-21-8-13/h9H,2-8H2,1H3,(H,14,17)(H,15,20)(H,18,19).
What are the key properties of 3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid?
3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of -0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64893474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).