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

C10H12N2O4 — CID 66263273

IUPAC(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)c1ccon1
InChIInChI=1S/C10H12N2O4/c13-9(7-4-6-16-11-7)12-5-2-1-3-8(12)10(14)15/h4,6,8H,1-3,5H2,(H,14,15)/t8-/m0/s1
InChIKeyPOIGKQDUQLDTBE-QMMMGPOBSA-N
MW224.22 g/mol
LogP0.75
Rot. Bonds2

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

(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 66263273) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is (2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID66263273
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)c1ccon1
InChIInChI=1S/C10H12N2O4/c13-9(7-4-6-16-11-7)12-5-2-1-3-8(12)10(14)15/h4,6,8H,1-3,5H2,(H,14,15)/t8-/m0/s1
InChIKeyPOIGKQDUQLDTBE-QMMMGPOBSA-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

(2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid
CID 106683530
1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid
CID 110835122
[2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 80666279
1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid
CID 81178491
(2S)-1-(1-methylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116969
1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
(2R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 99639521
(2S,3aR,7aR)-1-(1,2-oxazole-3-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 129430578
1-(6-chloropyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62241098
benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
CID 167484647
1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 3150890
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 79543848

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid (CID 66263273) is (2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1C(=O)c1ccon1.
What is the InChIKey of (2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is POIGKQDUQLDTBE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-9(7-4-6-16-11-7)12-5-2-1-3-8(12)10(14)15/h4,6,8H,1-3,5H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid?
(2S)-1-(1,2-oxazole-3-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 (2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66263273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).