4-[(3-bromofuran-2-carbonyl)amino]-5-phenylpentanoic acid

C16H16BrNO4 — CID 120547237

IUPAC4-[(3-bromofuran-2-carbonyl)amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)c1occc1Br
InChIInChI=1S/C16H16BrNO4/c17-13-8-9-22-15(13)16(21)18-12(6-7-14(19)20)10-11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2,(H,18,21)(H,19,20)
InChIKeyJFHHMMQUQNYPDE-UHFFFAOYSA-N
MW366.21 g/mol
LogP3.25
Rot. Bonds7

About 4-[(3-bromofuran-2-carbonyl)amino]-5-phenylpentanoic acid

4-[(3-bromofuran-2-carbonyl)amino]-5-phenylpentanoic acid (PubChem CID 120547237) has the molecular formula C16H16BrNO4 and a molecular weight of 366.21 g/mol. Its IUPAC name is 4-[(3-bromofuran-2-carbonyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(3-bromofuran-2-carbonyl)amino]-5-phenylpentanoic acid
PubChem CID120547237
Molecular FormulaC16H16BrNO4
Molecular Weight366.21 g/mol
Exact Mass365.03
IUPAC Name4-[(3-bromofuran-2-carbonyl)amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)c1occc1Br
InChIInChI=1S/C16H16BrNO4/c17-13-8-9-22-15(13)16(21)18-12(6-7-14(19)20)10-11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2,(H,18,21)(H,19,20)
InChIKeyJFHHMMQUQNYPDE-UHFFFAOYSA-N
XLogP3.25
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid
CID 120546799
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid
CID 120547174
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[(4-bromophenyl)methylamino]-5-phenylpentanoic acid
CID 120512028
N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide
CID 63753408
4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid
CID 120547076
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
4-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120546668
4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120546825

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromofuran-2-carbonyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(3-bromofuran-2-carbonyl)amino]-5-phenylpentanoic acid (CID 120547237) is 4-[(3-bromofuran-2-carbonyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(3-bromofuran-2-carbonyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(3-bromofuran-2-carbonyl)amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)c1occc1Br.
What is the InChIKey of 4-[(3-bromofuran-2-carbonyl)amino]-5-phenylpentanoic acid?
The InChIKey is JFHHMMQUQNYPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO4/c17-13-8-9-22-15(13)16(21)18-12(6-7-14(19)20)10-11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2,(H,18,21)(H,19,20).
What are the key properties of 4-[(3-bromofuran-2-carbonyl)amino]-5-phenylpentanoic acid?
4-[(3-bromofuran-2-carbonyl)amino]-5-phenylpentanoic acid has a molecular weight of 366.21 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromofuran-2-carbonyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120547237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).