1-((Tert-butoxy)carbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid

C13H23NO5 — CID 21882576

IUPAC4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CC1)(COC)C(=O)O
InChIInChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-7-5-13(6-8-14,9-18-4)10(15)16/h5-9H2,1-4H3,(H,15,16)
InChIKeyUNLQJPNYVYPPSG-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.80
Rot. Bonds5

About 1-((Tert-butoxy)carbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid

1-((Tert-butoxy)carbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid (PubChem CID 21882576) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-((Tert-butoxy)carbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid
PubChem CID21882576
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CC1)(COC)C(=O)O
InChIInChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-7-5-13(6-8-14,9-18-4)10(15)16/h5-9H2,1-4H3,(H,15,16)
InChIKeyUNLQJPNYVYPPSG-UHFFFAOYSA-N
XLogP0.80
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity339

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-((Tert-butoxy)carbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-((Tert-butoxy)carbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid (CID 21882576) is 4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-((Tert-butoxy)carbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-((Tert-butoxy)carbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC(CC1)(COC)C(=O)O.
What is the InChIKey of 1-((Tert-butoxy)carbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid?
The InChIKey is UNLQJPNYVYPPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-7-5-13(6-8-14,9-18-4)10(15)16/h5-9H2,1-4H3,(H,15,16).
What are the key properties of 1-((Tert-butoxy)carbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid?
1-((Tert-butoxy)carbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-((Tert-butoxy)carbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 21882576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).