2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid

C11H13BrN2O3 — CID 43640386

IUPAC2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cc(Br)cn1C1CC1)C(=O)O
InChIInChI=1S/C11H13BrN2O3/c1-6(11(16)17)13-10(15)9-4-7(12)5-14(9)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,13,15)(H,16,17)
InChIKeyRMVVIXBHMHTIAX-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.79
Rot. Bonds4

About 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid

2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid (PubChem CID 43640386) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid
PubChem CID43640386
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cc(Br)cn1C1CC1)C(=O)O
InChIInChI=1S/C11H13BrN2O3/c1-6(11(16)17)13-10(15)9-4-7(12)5-14(9)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,13,15)(H,16,17)
InChIKeyRMVVIXBHMHTIAX-UHFFFAOYSA-N
XLogP1.79
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43641687
3-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]butanoic acid
CID 43640405
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243692
4-bromo-1-cyclopropyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyrrole-2-carboxamide
CID 103110528
4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 63524255
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]-4-methoxybutanoic acid
CID 62478782
(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
N-[1-(4-aminophenyl)ethyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 116650049
4-bromo-1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]pyrrole-2-carboxamide
CID 60933403
4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
CID 60954815
4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid (CID 43640386) is 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid is CC(NC(=O)c1cc(Br)cn1C1CC1)C(=O)O.
What is the InChIKey of 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid?
The InChIKey is RMVVIXBHMHTIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-6(11(16)17)13-10(15)9-4-7(12)5-14(9)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid?
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid has a molecular weight of 301.14 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43640386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).