4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid

C12H18N2O3 — CID 114426836

IUPAC4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid
SMILESCc1cc(CN2CCC(C)CC2C(=O)O)no1
InChIInChI=1S/C12H18N2O3/c1-8-3-4-14(11(5-8)12(15)16)7-10-6-9(2)17-13-10/h6,8,11H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyHJIOXNHWFCAWET-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.67
Rot. Bonds3

About 4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid

4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 114426836) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid
PubChem CID114426836
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid
SMILESCc1cc(CN2CCC(C)CC2C(=O)O)no1
InChIInChI=1S/C12H18N2O3/c1-8-3-4-14(11(5-8)12(15)16)7-10-6-9(2)17-13-10/h6,8,11H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyHJIOXNHWFCAWET-UHFFFAOYSA-N
XLogP1.67
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79371547
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidine-2-carboxylic acid
CID 114422160
1-[(3,5-dimethylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426307
1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426481
4-methyl-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-2-carboxylic acid
CID 114426519
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426545
4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid
CID 114426304
4-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylic acid
CID 114426404
2,3-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 79407402
4-methyl-1-(thiophen-3-ylmethyl)piperidine-2-carboxylic acid
CID 114426332
(2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 129381448
3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propanoic acid
CID 62216318

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid (CID 114426836) is 4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid is Cc1cc(CN2CCC(C)CC2C(=O)O)no1.
What is the InChIKey of 4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is HJIOXNHWFCAWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-3-4-14(11(5-8)12(15)16)7-10-6-9(2)17-13-10/h6,8,11H,3-5,7H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid?
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114426836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).