3-benzoyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid

C18H24N2O6 — CID 67500512

IUPAC3-benzoyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CC(OC(=O)c2ccccc2)CN(C(=O)O)C1
InChIInChI=1S/C18H24N2O6/c1-18(2,3)26-16(22)19-13-9-14(11-20(10-13)17(23)24)25-15(21)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyVCKIMDNHZMTFPZ-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.49
Rot. Bonds3

About 3-benzoyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid

3-benzoyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid (PubChem CID 67500512) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-benzoyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-benzoyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
PubChem CID67500512
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name3-benzoyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CC(OC(=O)c2ccccc2)CN(C(=O)O)C1
InChIInChI=1S/C18H24N2O6/c1-18(2,3)26-16(22)19-13-9-14(11-20(10-13)17(23)24)25-15(21)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyVCKIMDNHZMTFPZ-UHFFFAOYSA-N
XLogP2.49
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-benzoyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-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 3-benzoyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
The IUPAC name of 3-benzoyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid (CID 67500512) is 3-benzoyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-benzoyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-benzoyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid is CC(C)(C)OC(=O)NC1CC(OC(=O)c2ccccc2)CN(C(=O)O)C1.
What is the InChIKey of 3-benzoyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
The InChIKey is VCKIMDNHZMTFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-18(2,3)26-16(22)19-13-9-14(11-20(10-13)17(23)24)25-15(21)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,22)(H,23,24).
What are the key properties of 3-benzoyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
3-benzoyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 67500512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).