1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylic acid

C17H28N4O6 — CID 59099495

IUPAC1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN=C1NCCOC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H28N4O6/c1-17(2,3)27-16(25)21-10-6-18-14(21)19-7-11-26-15(24)20-8-4-12(5-9-20)13(22)23/h12H,4-11H2,1-3H3,(H,18,19)(H,22,23)
InChIKeyQZGUYHAYQPUFLS-UHFFFAOYSA-N
MW384.43 g/mol
LogP1.12
Rot. Bonds4

About 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylic acid

1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 59099495) has the molecular formula C17H28N4O6 and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylic acid
PubChem CID59099495
Molecular FormulaC17H28N4O6
Molecular Weight384.43 g/mol
Exact Mass384.20
IUPAC Name1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN=C1NCCOC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H28N4O6/c1-17(2,3)27-16(25)21-10-6-18-14(21)19-7-11-26-15(24)20-8-4-12(5-9-20)13(22)23/h12H,4-11H2,1-3H3,(H,18,19)(H,22,23)
InChIKeyQZGUYHAYQPUFLS-UHFFFAOYSA-N
XLogP1.12
TPSA120.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]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 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylic acid (CID 59099495) is 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CCN=C1NCCOC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is QZGUYHAYQPUFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O6/c1-17(2,3)27-16(25)21-10-6-18-14(21)19-7-11-26-15(24)20-8-4-12(5-9-20)13(22)23/h12H,4-11H2,1-3H3,(H,18,19)(H,22,23).
What are the key properties of 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylic acid?
1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylic acid has a molecular weight of 384.43 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 59099495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).