[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate

C12H15BrN2O3 — CID 94172003

IUPAC[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate
SMILESC[C@@H](OC(=O)c1cc(Br)c[nH]1)C(=O)N1CCCC1
InChIInChI=1S/C12H15BrN2O3/c1-8(11(16)15-4-2-3-5-15)18-12(17)10-6-9(13)7-14-10/h6-8,14H,2-5H2,1H3/t8-/m1/s1
InChIKeyUVZPAVQSTXKOEF-MRVPVSSYSA-N
MW315.17 g/mol
LogP1.94
Rot. Bonds3

About [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate

[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate (PubChem CID 94172003) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate
PubChem CID94172003
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate
SMILESC[C@@H](OC(=O)c1cc(Br)c[nH]1)C(=O)N1CCCC1
InChIInChI=1S/C12H15BrN2O3/c1-8(11(16)15-4-2-3-5-15)18-12(17)10-6-9(13)7-14-10/h6-8,14H,2-5H2,1H3/t8-/m1/s1
InChIKeyUVZPAVQSTXKOEF-MRVPVSSYSA-N
XLogP1.94
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate with MolForge

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Related Compounds

ethyl 1-[2-(4-bromo-1H-pyrrole-2-carbonyl)oxypropanoyl]piperidine-4-carboxylate
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[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
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(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate
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[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-hydroxybenzoate
CID 7790061
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] acetate
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(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-bromo-3-nitrobenzoate
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[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate
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[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 24500963
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate
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[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate (CID 94172003) is [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate is C[C@@H](OC(=O)c1cc(Br)c[nH]1)C(=O)N1CCCC1.
What is the InChIKey of [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate?
The InChIKey is UVZPAVQSTXKOEF-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-8(11(16)15-4-2-3-5-15)18-12(17)10-6-9(13)7-14-10/h6-8,14H,2-5H2,1H3/t8-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate?
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate has a molecular weight of 315.17 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 94172003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).