3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid

C11H16N2O3 — CID 63137246

IUPAC3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(Cc2ccno2)C1
InChIInChI=1S/C11H16N2O3/c1-11(10(14)15)4-2-6-13(8-11)7-9-3-5-12-16-9/h3,5H,2,4,6-8H2,1H3,(H,14,15)
InChIKeySRUTXGVZRMHRSA-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.36
Rot. Bonds3

About 3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid

3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 63137246) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid
PubChem CID63137246
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(Cc2ccno2)C1
InChIInChI=1S/C11H16N2O3/c1-11(10(14)15)4-2-6-13(8-11)7-9-3-5-12-16-9/h3,5H,2,4,6-8H2,1H3,(H,14,15)
InChIKeySRUTXGVZRMHRSA-UHFFFAOYSA-N
XLogP1.36
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984444
3-methyl-1-[(5-nitrofuran-2-yl)methyl]piperidine-3-carboxylic acid
CID 63137556
1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137019
3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 63136416
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 104823891
1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 65068526
3-methyl-1-[(4-nitrophenyl)methyl]piperidine-3-carboxylic acid
CID 63136944
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
1-[(5-bromo-2-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 114077323
1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 114489088
1-[(5-bromothiophen-3-yl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137235

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid (CID 63137246) is 3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(Cc2ccno2)C1.
What is the InChIKey of 3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is SRUTXGVZRMHRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(10(14)15)4-2-6-13(8-11)7-9-3-5-12-16-9/h3,5H,2,4,6-8H2,1H3,(H,14,15).
What are the key properties of 3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid?
3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63137246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).