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

C11H20N2O4 — CID 1268236

IUPAC4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)CCNCC1
InChIInChI=1S/C11H20N2O4/c1-10(2,3)17-9(16)13-11(8(14)15)4-6-12-7-5-11/h12H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyRAENIWWUAIMXSI-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.72
Rot. Bonds2

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

4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid (PubChem CID 1268236) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid
PubChem CID1268236
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)CCNCC1
InChIInChI=1S/C11H20N2O4/c1-10(2,3)17-9(16)13-11(8(14)15)4-6-12-7-5-11/h12H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyRAENIWWUAIMXSI-UHFFFAOYSA-N
XLogP0.72
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-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 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid (CID 1268236) is 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)NC1(C(=O)O)CCNCC1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid?
The InChIKey is RAENIWWUAIMXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-10(2,3)17-9(16)13-11(8(14)15)4-6-12-7-5-11/h12H,4-7H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid?
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid is sourced from PubChem (CID 1268236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).