[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate

C13H16BrNO4 — CID 2628765

IUPAC[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccc(Br)o1)C(=O)NC1CCCC1
InChIInChI=1S/C13H16BrNO4/c1-8(12(16)15-9-4-2-3-5-9)18-13(17)10-6-7-11(14)19-10/h6-9H,2-5H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyFFTJDRDFXIBCRT-MRVPVSSYSA-N
MW330.18 g/mol
LogP2.65
Rot. Bonds4

About [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate (PubChem CID 2628765) has the molecular formula C13H16BrNO4 and a molecular weight of 330.18 g/mol. Its IUPAC name is [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
PubChem CID2628765
Molecular FormulaC13H16BrNO4
Molecular Weight330.18 g/mol
Exact Mass329.03
IUPAC Name[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccc(Br)o1)C(=O)NC1CCCC1
InChIInChI=1S/C13H16BrNO4/c1-8(12(16)15-9-4-2-3-5-9)18-13(17)10-6-7-11(14)19-10/h6-9H,2-5H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyFFTJDRDFXIBCRT-MRVPVSSYSA-N
XLogP2.65
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 5-bromofuran-2-carboxylate
CID 7716881
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727900
[1-(cycloheptylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 18091724
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 1469985
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 3677015
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 18777352
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
CID 18195613
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 2630507
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877268
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 46618582

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate?
The IUPAC name of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate (CID 2628765) is [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate.
What is the SMILES notation for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate?
The canonical SMILES for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate is C[C@@H](OC(=O)c1ccc(Br)o1)C(=O)NC1CCCC1.
What is the InChIKey of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate?
The InChIKey is FFTJDRDFXIBCRT-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16BrNO4/c1-8(12(16)15-9-4-2-3-5-9)18-13(17)10-6-7-11(14)19-10/h6-9H,2-5H2,1H3,(H,15,16)/t8-/m1/s1.
What are the key properties of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate?
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate has a molecular weight of 330.18 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate is sourced from PubChem (CID 2628765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).