1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azetidine-3-carboxylic acid

C14H24N2O4 — CID 45072429

IUPAC1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azetidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(N2CC(C(=O)O)C2)CC1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(19)15-6-4-11(5-7-15)16-8-10(9-16)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyPJUNYYOGPCHSBI-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds2

About 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azetidine-3-carboxylic acid

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azetidine-3-carboxylic acid (PubChem CID 45072429) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azetidine-3-carboxylic acid
PubChem CID45072429
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azetidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(N2CC(C(=O)O)C2)CC1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(19)15-6-4-11(5-7-15)16-8-10(9-16)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyPJUNYYOGPCHSBI-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azetidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azetidine-3-carboxylic acid (CID 45072429) is 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azetidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCC(N2CC(C(=O)O)C2)CC1.
What is the InChIKey of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azetidine-3-carboxylic acid?
The InChIKey is PJUNYYOGPCHSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,3)20-13(19)15-6-4-11(5-7-15)16-8-10(9-16)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azetidine-3-carboxylic acid?
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azetidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azetidine-3-carboxylic acid is sourced from PubChem (CID 45072429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).