1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]piperidine-4-carboxylic acid

C14H24N2O4 — CID 146021359

IUPAC1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(19)16-8-11(9-16)15-6-4-10(5-7-15)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyYDICPQHLHLOGES-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds2

About 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]piperidine-4-carboxylic acid

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]piperidine-4-carboxylic acid (PubChem CID 146021359) 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]azetidin-3-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]piperidine-4-carboxylic acid
PubChem CID146021359
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(19)16-8-11(9-16)15-6-4-10(5-7-15)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyYDICPQHLHLOGES-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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]piperidine-4-carboxylic acid (CID 146021359) is 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CC(N2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]piperidine-4-carboxylic acid?
The InChIKey is YDICPQHLHLOGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,3)20-13(19)16-8-11(9-16)15-6-4-10(5-7-15)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]azetidin-3-yl]piperidine-4-carboxylic acid?
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]piperidine-4-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]azetidin-3-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 146021359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).