[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate

C16H16BrNO4 — CID 7716846

IUPAC[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate
SMILESC[C@@H](CNC(=O)COC(=O)c1ccc(Br)o1)c1ccccc1
InChIInChI=1S/C16H16BrNO4/c1-11(12-5-3-2-4-6-12)9-18-15(19)10-21-16(20)13-7-8-14(17)22-13/h2-8,11H,9-10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyWHFRGPBEZICZCT-NSHDSACASA-N
MW366.21 g/mol
LogP3.12
Rot. Bonds6

About [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate

[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate (PubChem CID 7716846) has the molecular formula C16H16BrNO4 and a molecular weight of 366.21 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate
PubChem CID7716846
Molecular FormulaC16H16BrNO4
Molecular Weight366.21 g/mol
Exact Mass365.03
IUPAC Name[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate
SMILESC[C@@H](CNC(=O)COC(=O)c1ccc(Br)o1)c1ccccc1
InChIInChI=1S/C16H16BrNO4/c1-11(12-5-3-2-4-6-12)9-18-15(19)10-21-16(20)13-7-8-14(17)22-13/h2-8,11H,9-10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyWHFRGPBEZICZCT-NSHDSACASA-N
XLogP3.12
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-phenylpropylamino)ethyl] 4-(acetamidomethyl)benzoate
CID 18195635
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate
CID 7971711
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 3,5-dimethylbenzoate
CID 8535856
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573846
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133512
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate
CID 7703814
[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 50929506
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-cyanobenzoate
CID 7716956
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573841
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-methylpyrrole-2-carboxylate
CID 7228986
2-(2-bromo-4-ethylphenoxy)-N-(2-phenylpropyl)acetamide
CID 133164493
[2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate
CID 16525548

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate?
The IUPAC name of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate (CID 7716846) is [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate is C[C@@H](CNC(=O)COC(=O)c1ccc(Br)o1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate?
The InChIKey is WHFRGPBEZICZCT-NSHDSACASA-N. The full InChI is InChI=1S/C16H16BrNO4/c1-11(12-5-3-2-4-6-12)9-18-15(19)10-21-16(20)13-7-8-14(17)22-13/h2-8,11H,9-10H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate?
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate has a molecular weight of 366.21 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate is sourced from PubChem (CID 7716846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).