1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid

C10H12N2O4 — CID 110835122

IUPAC1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1ncco1
InChIInChI=1S/C10H12N2O4/c13-9(8-11-4-6-16-8)12-5-2-1-3-7(12)10(14)15/h4,6-7H,1-3,5H2,(H,14,15)
InChIKeyVAGZOVJGNRCRTA-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.75
Rot. Bonds2

About 1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid

1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 110835122) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID110835122
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1ncco1
InChIInChI=1S/C10H12N2O4/c13-9(8-11-4-6-16-8)12-5-2-1-3-7(12)10(14)15/h4,6-7H,1-3,5H2,(H,14,15)
InChIKeyVAGZOVJGNRCRTA-UHFFFAOYSA-N
XLogP0.75
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 66263273
(2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid
CID 106683530
1-(1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 110835478
(2R)-1-(3-aminopyrazine-2-carbonyl)piperidine-2-carboxylic acid
CID 154745570
1-(1H-imidazole-2-carbonyl)piperidine-2-carboxylic acid
CID 110466478
1-(5-methylpyrazine-2-carbonyl)azepane-2-carboxylic acid
CID 64561466
1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 3150890
1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
1-(thiadiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 43522625
(2S)-1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 97169127
1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid
CID 43565596
1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62339102

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid (CID 110835122) is 1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)c1ncco1.
What is the InChIKey of 1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is VAGZOVJGNRCRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-9(8-11-4-6-16-8)12-5-2-1-3-7(12)10(14)15/h4,6-7H,1-3,5H2,(H,14,15).
What are the key properties of 1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid?
1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 110835122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).