(2S,3S)-2-methyl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid

C14H20N2O4 — CID 122116627

IUPAC(2S,3S)-2-methyl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
SMILESCC(C)c1cc(C(=O)N2CCC[C@H](C(=O)O)[C@@H]2C)no1
InChIInChI=1S/C14H20N2O4/c1-8(2)12-7-11(15-20-12)13(17)16-6-4-5-10(9(16)3)14(18)19/h7-10H,4-6H2,1-3H3,(H,18,19)/t9-,10-/m0/s1
InChIKeyKIDOZEBVTSLGQI-UWVGGRQHSA-N
MW280.32 g/mol
LogP2.12
Rot. Bonds3

About (2S,3S)-2-methyl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid

(2S,3S)-2-methyl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122116627) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2S,3S)-2-methyl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-2-methyl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID122116627
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(2S,3S)-2-methyl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
SMILESCC(C)c1cc(C(=O)N2CCC[C@H](C(=O)O)[C@@H]2C)no1
InChIInChI=1S/C14H20N2O4/c1-8(2)12-7-11(15-20-12)13(17)16-6-4-5-10(9(16)3)14(18)19/h7-10H,4-6H2,1-3H3,(H,18,19)/t9-,10-/m0/s1
InChIKeyKIDOZEBVTSLGQI-UWVGGRQHSA-N
XLogP2.12
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 92721203
(4-propan-2-ylazepan-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 119043032
(2S,3S)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-oxazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 178198439
(2S,3S)-2-methyl-1-(2-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122116782
[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 50809164
[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 167948922
1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95051971
(2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 122116403
(2R,3R)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115319
(2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 122115467
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92893500
(2-methyl-1,3-thiazol-4-yl)-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 95136623

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (2S,3S)-2-methyl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid (CID 122116627) is (2S,3S)-2-methyl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-2-methyl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (2S,3S)-2-methyl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid is CC(C)c1cc(C(=O)N2CCC[C@H](C(=O)O)[C@@H]2C)no1.
What is the InChIKey of (2S,3S)-2-methyl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is KIDOZEBVTSLGQI-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-8(2)12-7-11(15-20-12)13(17)16-6-4-5-10(9(16)3)14(18)19/h7-10H,4-6H2,1-3H3,(H,18,19)/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid?
(2S,3S)-2-methyl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122116627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).