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

C14H20N2O4 — CID 99639521

IUPAC(2R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2C(=O)O)no1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)11-8-9(15-20-11)12(17)16-7-5-4-6-10(16)13(18)19/h8,10H,4-7H2,1-3H3,(H,18,19)/t10-/m1/s1
InChIKeyGRZKPEDRWHAJQA-SNVBAGLBSA-N
MW280.32 g/mol
LogP2.05
Rot. Bonds2

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

(2R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 99639521) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID99639521
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(2R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2C(=O)O)no1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)11-8-9(15-20-11)12(17)16-7-5-4-6-10(16)13(18)19/h8,10H,4-7H2,1-3H3,(H,18,19)/t10-/m1/s1
InChIKeyGRZKPEDRWHAJQA-SNVBAGLBSA-N
XLogP2.05
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.05
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
(2S)-1-(5-tert-butyl-2-methylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 672644
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide
CID 70865040
1-(5-methylpyrazine-2-carbonyl)azepane-2-carboxylic acid
CID 64561466
(2S)-1-(1-methylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116969
tert-butyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 68786586
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpiperidine-2-carboxamide
CID 46873516
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119176237
(4S)-N-tert-butyl-3-(5-tert-butyl-1,2-oxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 97318087
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(oxane-4-carbonyl)piperidin-2-yl]ethanone
CID 58564037
1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119176258
(5-tert-butyl-1,2-oxazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490634

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid (CID 99639521) is (2R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid is CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2C(=O)O)no1.
What is the InChIKey of (2R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is GRZKPEDRWHAJQA-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)11-8-9(15-20-11)12(17)16-7-5-4-6-10(16)13(18)19/h8,10H,4-7H2,1-3H3,(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 99639521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).