tert-butyl (3R)-1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,6-dioxopiperidine-3-carboxylate

C19H32N2O6 — CID 134942640

IUPACtert-butyl (3R)-1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,6-dioxopiperidine-3-carboxylate
SMILESCN1C(=O)CC[C@@](CCCNC(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C19H32N2O6/c1-17(2,3)26-15(24)19(11-9-13(22)21(7)14(19)23)10-8-12-20-16(25)27-18(4,5)6/h8-12H2,1-7H3,(H,20,25)/t19-/m1/s1
InChIKeyCIIAFJSUGFSFCP-LJQANCHMSA-N
MW384.47 g/mol
LogP2.40
Rot. Bonds5

About tert-butyl (3R)-1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,6-dioxopiperidine-3-carboxylate

tert-butyl (3R)-1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,6-dioxopiperidine-3-carboxylate (PubChem CID 134942640) has the molecular formula C19H32N2O6 and a molecular weight of 384.47 g/mol. Its IUPAC name is tert-butyl (3R)-1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,6-dioxopiperidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,6-dioxopiperidine-3-carboxylate
PubChem CID134942640
Molecular FormulaC19H32N2O6
Molecular Weight384.47 g/mol
Exact Mass384.23
IUPAC Nametert-butyl (3R)-1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,6-dioxopiperidine-3-carboxylate
SMILESCN1C(=O)CC[C@@](CCCNC(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C19H32N2O6/c1-17(2,3)26-15(24)19(11-9-13(22)21(7)14(19)23)10-8-12-20-16(25)27-18(4,5)6/h8-12H2,1-7H3,(H,20,25)/t19-/m1/s1
InChIKeyCIIAFJSUGFSFCP-LJQANCHMSA-N
XLogP2.40
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,6-dioxopiperidine-3-carboxylate?
The IUPAC name of tert-butyl (3R)-1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,6-dioxopiperidine-3-carboxylate (CID 134942640) is tert-butyl (3R)-1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,6-dioxopiperidine-3-carboxylate.
What is the SMILES notation for tert-butyl (3R)-1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,6-dioxopiperidine-3-carboxylate?
The canonical SMILES for tert-butyl (3R)-1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,6-dioxopiperidine-3-carboxylate is CN1C(=O)CC[C@@](CCCNC(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl (3R)-1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,6-dioxopiperidine-3-carboxylate?
The InChIKey is CIIAFJSUGFSFCP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H32N2O6/c1-17(2,3)26-15(24)19(11-9-13(22)21(7)14(19)23)10-8-12-20-16(25)27-18(4,5)6/h8-12H2,1-7H3,(H,20,25)/t19-/m1/s1.
What are the key properties of tert-butyl (3R)-1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,6-dioxopiperidine-3-carboxylate?
tert-butyl (3R)-1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,6-dioxopiperidine-3-carboxylate has a molecular weight of 384.47 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,6-dioxopiperidine-3-carboxylate is sourced from PubChem (CID 134942640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).