methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate

C14H24N2O5 — CID 153361350

IUPACmethyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(=O)N1CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O5/c1-14(2,3)21-13(19)15-8-5-9-16-10(12(18)20-4)6-7-11(16)17/h10H,5-9H2,1-4H3,(H,15,19)
InChIKeyHPOVBJLFTFVZHX-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.07
Rot. Bonds5

About methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate

methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate (PubChem CID 153361350) has the molecular formula C14H24N2O5 and a molecular weight of 300.35 g/mol. Its IUPAC name is methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate
PubChem CID153361350
Molecular FormulaC14H24N2O5
Molecular Weight300.35 g/mol
Exact Mass300.17
IUPAC Namemethyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(=O)N1CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O5/c1-14(2,3)21-13(19)15-8-5-9-16-10(12(18)20-4)6-7-11(16)17/h10H,5-9H2,1-4H3,(H,15,19)
InChIKeyHPOVBJLFTFVZHX-UHFFFAOYSA-N
XLogP1.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate (CID 153361350) is methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate is COC(=O)C1CCC(=O)N1CCCNC(=O)OC(C)(C)C.
What is the InChIKey of methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate?
The InChIKey is HPOVBJLFTFVZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-14(2,3)21-13(19)15-8-5-9-16-10(12(18)20-4)6-7-11(16)17/h10H,5-9H2,1-4H3,(H,15,19).
What are the key properties of methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate?
methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate has a molecular weight of 300.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 153361350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).