(3R)-1-(1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid

C10H12N2O4 — CID 28777955

IUPAC(3R)-1-(1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2ccno2)C1
InChIInChI=1S/C10H12N2O4/c13-9(8-3-4-11-16-8)12-5-1-2-7(6-12)10(14)15/h3-4,7H,1-2,5-6H2,(H,14,15)/t7-/m1/s1
InChIKeyDBKXECFEAMFFRT-SSDOTTSWSA-N
MW224.22 g/mol
LogP0.61
Rot. Bonds2

About (3R)-1-(1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid (PubChem CID 28777955) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is (3R)-1-(1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
PubChem CID28777955
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name(3R)-1-(1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2ccno2)C1
InChIInChI=1S/C10H12N2O4/c13-9(8-3-4-11-16-8)12-5-1-2-7(6-12)10(14)15/h3-4,7H,1-2,5-6H2,(H,14,15)/t7-/m1/s1
InChIKeyDBKXECFEAMFFRT-SSDOTTSWSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid (CID 28777955) is (3R)-1-(1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)c2ccno2)C1.
What is the InChIKey of (3R)-1-(1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is DBKXECFEAMFFRT-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-9(8-3-4-11-16-8)12-5-1-2-7(6-12)10(14)15/h3-4,7H,1-2,5-6H2,(H,14,15)/t7-/m1/s1.
What are the key properties of (3R)-1-(1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 28777955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).