4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

C12H21NO4 — CID 23224198

IUPAC4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SMILESCC1CCNC(C(=O)O)(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO4/c1-8-5-6-13-12(7-8,9(14)15)10(16)17-11(2,3)4/h8,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyWXEDNWREOFHOEV-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds2

About 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (PubChem CID 23224198) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
PubChem CID23224198
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SMILESCC1CCNC(C(=O)O)(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO4/c1-8-5-6-13-12(7-8,9(14)15)10(16)17-11(2,3)4/h8,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyWXEDNWREOFHOEV-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (CID 23224198) is 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is CC1CCNC(C(=O)O)(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The InChIKey is WXEDNWREOFHOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8-5-6-13-12(7-8,9(14)15)10(16)17-11(2,3)4/h8,13H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 23224198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).