2-(bromomethyl)-5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid

C10H14BrNO4 — CID 54073359

IUPAC2-(bromomethyl)-5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
SMILESO=C(O)C(CBr)CCCn1c(O)ccc1O
InChIInChI=1S/C10H14BrNO4/c11-6-7(10(15)16)2-1-5-12-8(13)3-4-9(12)14/h3-4,7,13-14H,1-2,5-6H2,(H,15,16)
InChIKeyMHZYAMMWSXIFEM-UHFFFAOYSA-N
MW292.13 g/mol
LogP1.78
Rot. Bonds6

About 2-(bromomethyl)-5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid

2-(bromomethyl)-5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid (PubChem CID 54073359) has the molecular formula C10H14BrNO4 and a molecular weight of 292.13 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(bromomethyl)-5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
PubChem CID54073359
Molecular FormulaC10H14BrNO4
Molecular Weight292.13 g/mol
Exact Mass291.01
IUPAC Name2-(bromomethyl)-5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
SMILESO=C(O)C(CBr)CCCn1c(O)ccc1O
InChIInChI=1S/C10H14BrNO4/c11-6-7(10(15)16)2-1-5-12-8(13)3-4-9(12)14/h3-4,7,13-14H,1-2,5-6H2,(H,15,16)
InChIKeyMHZYAMMWSXIFEM-UHFFFAOYSA-N
XLogP1.78
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Bromo-3-(2,5-dihydroxypyrrol-1-yl)propanoic acid
CID 91471577
2-Bromo-3-(2,5-dihydroxypyrrol-1-yl)-2-methylpropanoic acid
CID 91306695
5-(2,5-Dihydroxypyrrol-1-yl)-2-methylidenepentanoic acid
CID 53706268
1-(2,5-Dihydroxypyrrol-1-yl)-3-methylhexane-2,5-dione
CID 53780640
2-Bromo-5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 53864761
4-(2,5-Dihydroxypyrrol-1-yl)butanoic acid
CID 53867299
4-[(2,5-Dihydroxypyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 53921834
7-(2,5-Dihydroxypyrrol-1-yl)heptanoic acid
CID 53964658
6-(2,5-Dihydroxypyrrol-1-yl)hexaneperoxoic acid
CID 54152138
5-(2,5-Dihydroxypyrrol-1-yl)pentanoic acid
CID 54349223
(2,5-Dihydroxypyrrol-1-yl) 2-methylpentanoate
CID 54421395
4-(2,5-Dihydroxypyrrol-1-yl)butaneperoxoic acid
CID 54435565

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid?
The IUPAC name of 2-(bromomethyl)-5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid (CID 54073359) is 2-(bromomethyl)-5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid.
What is the SMILES notation for 2-(bromomethyl)-5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid?
The canonical SMILES for 2-(bromomethyl)-5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid is O=C(O)C(CBr)CCCn1c(O)ccc1O.
What is the InChIKey of 2-(bromomethyl)-5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid?
The InChIKey is MHZYAMMWSXIFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO4/c11-6-7(10(15)16)2-1-5-12-8(13)3-4-9(12)14/h3-4,7,13-14H,1-2,5-6H2,(H,15,16).
What are the key properties of 2-(bromomethyl)-5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid?
2-(bromomethyl)-5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid has a molecular weight of 292.13 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid is sourced from PubChem (CID 54073359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).