2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methoxybutanoic acid

C10H13BrN2O4 — CID 62480168

IUPAC2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1cc(Br)c[nH]1)C(=O)O
InChIInChI=1S/C10H13BrN2O4/c1-17-3-2-7(10(15)16)13-9(14)8-4-6(11)5-12-8/h4-5,7,12H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyZFBDYOBMNORHIG-UHFFFAOYSA-N
MW305.13 g/mol
LogP1.00
Rot. Bonds6

About 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methoxybutanoic acid

2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methoxybutanoic acid (PubChem CID 62480168) has the molecular formula C10H13BrN2O4 and a molecular weight of 305.13 g/mol. Its IUPAC name is 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methoxybutanoic acid
PubChem CID62480168
Molecular FormulaC10H13BrN2O4
Molecular Weight305.13 g/mol
Exact Mass304.01
IUPAC Name2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1cc(Br)c[nH]1)C(=O)O
InChIInChI=1S/C10H13BrN2O4/c1-17-3-2-7(10(15)16)13-9(14)8-4-6(11)5-12-8/h4-5,7,12H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyZFBDYOBMNORHIG-UHFFFAOYSA-N
XLogP1.00
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methoxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid
CID 43630226
2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 120702140
(2S)-4-amino-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 28741633
4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 62478251
2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-5-methoxypentanoic acid
CID 81077571
(2S)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 29299826
2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 62478213
4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide
CID 62047480
4-bromo-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 55748639
2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(3,4-dimethylimidazolidin-4-yl)propanoic acid
CID 163153170
2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid
CID 63749129
4-bromo-N-methoxy-1H-pyrrole-2-carboxamide
CID 103608505

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methoxybutanoic acid (CID 62480168) is 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methoxybutanoic acid is COCCC(NC(=O)c1cc(Br)c[nH]1)C(=O)O.
What is the InChIKey of 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methoxybutanoic acid?
The InChIKey is ZFBDYOBMNORHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O4/c1-17-3-2-7(10(15)16)13-9(14)8-4-6(11)5-12-8/h4-5,7,12H,2-3H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methoxybutanoic acid?
2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methoxybutanoic acid has a molecular weight of 305.13 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62480168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).