4-bromo-1-[2-(2-methoxyethoxy)ethyl]pyrrole-2-carboxylic acid

C10H14BrNO4 — CID 114604802

IUPAC4-bromo-1-[2-(2-methoxyethoxy)ethyl]pyrrole-2-carboxylic acid
SMILESCOCCOCCn1cc(Br)cc1C(=O)O
InChIInChI=1S/C10H14BrNO4/c1-15-4-5-16-3-2-12-7-8(11)6-9(12)10(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyRYAPXTQZNBDJEH-UHFFFAOYSA-N
MW292.13 g/mol
LogP1.61
Rot. Bonds7

About 4-bromo-1-[2-(2-methoxyethoxy)ethyl]pyrrole-2-carboxylic acid

4-bromo-1-[2-(2-methoxyethoxy)ethyl]pyrrole-2-carboxylic acid (PubChem CID 114604802) has the molecular formula C10H14BrNO4 and a molecular weight of 292.13 g/mol. Its IUPAC name is 4-bromo-1-[2-(2-methoxyethoxy)ethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-1-[2-(2-methoxyethoxy)ethyl]pyrrole-2-carboxylic acid
PubChem CID114604802
Molecular FormulaC10H14BrNO4
Molecular Weight292.13 g/mol
Exact Mass291.01
IUPAC Name4-bromo-1-[2-(2-methoxyethoxy)ethyl]pyrrole-2-carboxylic acid
SMILESCOCCOCCn1cc(Br)cc1C(=O)O
InChIInChI=1S/C10H14BrNO4/c1-15-4-5-16-3-2-12-7-8(11)6-9(12)10(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyRYAPXTQZNBDJEH-UHFFFAOYSA-N
XLogP1.61
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxylic acid
CID 114605109
4-bromo-1-[2-(2-methoxyphenyl)ethyl]pyrrole-2-carboxylic acid
CID 106262468
4-bromo-1-(2-cyclopropylethyl)pyrrole-2-carboxylic acid
CID 114605862
1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid
CID 114612786
2-[1-(2-acetyloxyethyl)-4-bromopyrrol-2-yl]-2-oxoacetic acid
CID 151515143
4-bromo-1-(2-ethylbutyl)pyrrole-2-carboxylic acid
CID 114606884
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methoxypropanoic acid
CID 114144339
4-bromo-1-(2,2-dimethylbutyl)pyrrole-2-carboxylic acid
CID 103463798
4-bromo-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrole-2-carboxylic acid
CID 114606969
4-bromo-1-(2,3,3-trimethylbutyl)pyrrole-2-carboxylic acid
CID 114606478
(4-bromo-1-methylpyrrol-2-yl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone
CID 71994005
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62675869

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[2-(2-methoxyethoxy)ethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 4-bromo-1-[2-(2-methoxyethoxy)ethyl]pyrrole-2-carboxylic acid (CID 114604802) is 4-bromo-1-[2-(2-methoxyethoxy)ethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-bromo-1-[2-(2-methoxyethoxy)ethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 4-bromo-1-[2-(2-methoxyethoxy)ethyl]pyrrole-2-carboxylic acid is COCCOCCn1cc(Br)cc1C(=O)O.
What is the InChIKey of 4-bromo-1-[2-(2-methoxyethoxy)ethyl]pyrrole-2-carboxylic acid?
The InChIKey is RYAPXTQZNBDJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO4/c1-15-4-5-16-3-2-12-7-8(11)6-9(12)10(13)14/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 4-bromo-1-[2-(2-methoxyethoxy)ethyl]pyrrole-2-carboxylic acid?
4-bromo-1-[2-(2-methoxyethoxy)ethyl]pyrrole-2-carboxylic acid has a molecular weight of 292.13 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[2-(2-methoxyethoxy)ethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 114604802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).