1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid

C14H18N2O4 — CID 106741830

IUPAC1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C14H18N2O4/c1-8-6-10(14(18)19)4-5-16(8)13(17)11-7-12(20-15-11)9-2-3-9/h7-10H,2-6H2,1H3,(H,18,19)
InChIKeyLRHZOUDOULIKCH-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.88
Rot. Bonds3

About 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid

1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106741830) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106741830
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C14H18N2O4/c1-8-6-10(14(18)19)4-5-16(8)13(17)11-7-12(20-15-11)9-2-3-9/h7-10H,2-6H2,1H3,(H,18,19)
InChIKeyLRHZOUDOULIKCH-UHFFFAOYSA-N
XLogP1.88
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid (CID 106741830) is 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)c1cc(C2CC2)on1.
What is the InChIKey of 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is LRHZOUDOULIKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-6-10(14(18)19)4-5-16(8)13(17)11-7-12(20-15-11)9-2-3-9/h7-10H,2-6H2,1H3,(H,18,19).
What are the key properties of 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid?
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106741830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).