1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid

C12H14N2O6 — CID 115918349

IUPAC1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESCc1cnoc1C(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C12H14N2O6/c1-6-4-13-20-9(6)10(15)14-3-2-7(11(16)17)8(5-14)12(18)19/h4,7-8H,2-3,5H2,1H3,(H,16,17)(H,18,19)
InChIKeyPHWCUYUVUAQTAG-UHFFFAOYSA-N
MW282.25 g/mol
LogP0.23
Rot. Bonds3

About 1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid

1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid (PubChem CID 115918349) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is 1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
PubChem CID115918349
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESCc1cnoc1C(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C12H14N2O6/c1-6-4-13-20-9(6)10(15)14-3-2-7(11(16)17)8(5-14)12(18)19/h4,7-8H,2-3,5H2,1H3,(H,16,17)(H,18,19)
InChIKeyPHWCUYUVUAQTAG-UHFFFAOYSA-N
XLogP0.23
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 66335266
3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-methyl-1,2-oxazol-5-yl)methanone
CID 81483357
3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 66334339
1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 66334626
1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918216
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 81483123
1-(4-methylbenzoyl)piperidine-3,4-dicarboxylic acid
CID 115918184
4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
CID 66336150
[2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 81485230
1-(2-methylpyrazole-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918339
[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 79737157
(2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 66335401

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid (CID 115918349) is 1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid is Cc1cnoc1C(=O)N1CCC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is PHWCUYUVUAQTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6/c1-6-4-13-20-9(6)10(15)14-3-2-7(11(16)17)8(5-14)12(18)19/h4,7-8H,2-3,5H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid?
1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 282.25 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 115918349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).