2-[(4-bromo-1-methylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid

C12H15BrN2O3 — CID 119202223

IUPAC2-[(4-bromo-1-methylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1cc(Br)cn1C)C1CC1
InChIInChI=1S/C12H15BrN2O3/c1-7(12(17)18)15(9-3-4-9)11(16)10-5-8(13)6-14(10)2/h5-7,9H,3-4H2,1-2H3,(H,17,18)
InChIKeyXRRWYDDCVYBVBW-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.87
Rot. Bonds4

About 2-[(4-bromo-1-methylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid

2-[(4-bromo-1-methylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid (PubChem CID 119202223) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-[(4-bromo-1-methylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-bromo-1-methylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid
PubChem CID119202223
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name2-[(4-bromo-1-methylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1cc(Br)cn1C)C1CC1
InChIInChI=1S/C12H15BrN2O3/c1-7(12(17)18)15(9-3-4-9)11(16)10-5-8(13)6-14(10)2/h5-7,9H,3-4H2,1-2H3,(H,17,18)
InChIKeyXRRWYDDCVYBVBW-UHFFFAOYSA-N
XLogP1.87
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid
CID 119203379
4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61041943
4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
CID 43641486
2-[(4-bromo-2-fluorobenzoyl)-cyclopropylamino]propanoic acid
CID 119203138
2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid
CID 62696089
2-[cyclopropyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119203427
4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 60956180
(2R)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 30063046
(2S)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 30063050
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-cyclopropylamino]propanoic acid
CID 119203160
4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 43432093
2-[cyclopropyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
CID 120519188

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1-methylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid?
The IUPAC name of 2-[(4-bromo-1-methylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid (CID 119202223) is 2-[(4-bromo-1-methylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid.
What is the SMILES notation for 2-[(4-bromo-1-methylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid?
The canonical SMILES for 2-[(4-bromo-1-methylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid is CC(C(=O)O)N(C(=O)c1cc(Br)cn1C)C1CC1.
What is the InChIKey of 2-[(4-bromo-1-methylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid?
The InChIKey is XRRWYDDCVYBVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-7(12(17)18)15(9-3-4-9)11(16)10-5-8(13)6-14(10)2/h5-7,9H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-[(4-bromo-1-methylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid?
2-[(4-bromo-1-methylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid has a molecular weight of 315.17 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1-methylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid is sourced from PubChem (CID 119202223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).