methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]pyrrolidine-2-carboxylate

C18H24N2O5 — CID 75293859

IUPACmethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H24N2O5/c1-18(2,3)25-17(23)19-13-9-6-5-8-12(13)15(21)20-11-7-10-14(20)16(22)24-4/h5-6,8-9,14H,7,10-11H2,1-4H3,(H,19,23)
InChIKeyVAYQWYUHRJCLIQ-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.81
Rot. Bonds3

About methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]pyrrolidine-2-carboxylate

methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]pyrrolidine-2-carboxylate (PubChem CID 75293859) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]pyrrolidine-2-carboxylate
PubChem CID75293859
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Namemethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H24N2O5/c1-18(2,3)25-17(23)19-13-9-6-5-8-12(13)15(21)20-11-7-10-14(20)16(22)24-4/h5-6,8-9,14H,7,10-11H2,1-4H3,(H,19,23)
InChIKeyVAYQWYUHRJCLIQ-UHFFFAOYSA-N
XLogP2.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]pyrrolidine-2-carboxylate (CID 75293859) is methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1ccccc1NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]pyrrolidine-2-carboxylate?
The InChIKey is VAYQWYUHRJCLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-18(2,3)25-17(23)19-13-9-6-5-8-12(13)15(21)20-11-7-10-14(20)16(22)24-4/h5-6,8-9,14H,7,10-11H2,1-4H3,(H,19,23).
What are the key properties of methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]pyrrolidine-2-carboxylate?
methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]pyrrolidine-2-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 75293859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).