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

C15H24N2O4 — CID 170781391

IUPAC2-tert-butyl-4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(Cc2cnc(CO)o2)CCN1C(=O)O
InChIInChI=1S/C15H24N2O4/c1-15(2,3)12-7-10(4-5-17(12)14(19)20)6-11-8-16-13(9-18)21-11/h8,10,12,18H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyCMPVUGZTQIYTCB-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.51
Rot. Bonds3

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

2-tert-butyl-4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylic acid (PubChem CID 170781391) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-tert-butyl-4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylic acid
PubChem CID170781391
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-tert-butyl-4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(Cc2cnc(CO)o2)CCN1C(=O)O
InChIInChI=1S/C15H24N2O4/c1-15(2,3)12-7-10(4-5-17(12)14(19)20)6-11-8-16-13(9-18)21-11/h8,10,12,18H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyCMPVUGZTQIYTCB-UHFFFAOYSA-N
XLogP2.51
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylic acid (CID 170781391) is 2-tert-butyl-4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylic acid is CC(C)(C)C1CC(Cc2cnc(CO)o2)CCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylic acid?
The InChIKey is CMPVUGZTQIYTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,3)12-7-10(4-5-17(12)14(19)20)6-11-8-16-13(9-18)21-11/h8,10,12,18H,4-7,9H2,1-3H3,(H,19,20).
What are the key properties of 2-tert-butyl-4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylic acid?
2-tert-butyl-4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 170781391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).