2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid

C11H13BrN2O3 — CID 62696089

IUPAC2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid
SMILESCn1cc(Br)cc1C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H13BrN2O3/c1-14-5-7(12)4-8(14)10(15)13-9(11(16)17)6-2-3-6/h4-6,9H,2-3H2,1H3,(H,13,15)(H,16,17)
InChIKeyRBZGGRORSDNBDM-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.38
Rot. Bonds4

About 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid

2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid (PubChem CID 62696089) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid
PubChem CID62696089
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid
SMILESCn1cc(Br)cc1C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H13BrN2O3/c1-14-5-7(12)4-8(14)10(15)13-9(11(16)17)6-2-3-6/h4-6,9H,2-3H2,1H3,(H,13,15)(H,16,17)
InChIKeyRBZGGRORSDNBDM-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid with MolForge

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Related Compounds

(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-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119614922
4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
CID 63294689
2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 43208807
2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid
CID 107971371
4-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 79250303
4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 115622756
4-bromo-1-methyl-N-(4-methylpentan-2-yl)pyrrole-2-carboxamide
CID 43641586
methyl 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 43409034
4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide
CID 61470818
4-bromo-1-methyl-N-(2-methylcyclopropyl)pyrrole-2-carboxamide
CID 62408030

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid (CID 62696089) is 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid is Cn1cc(Br)cc1C(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid?
The InChIKey is RBZGGRORSDNBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-14-5-7(12)4-8(14)10(15)13-9(11(16)17)6-2-3-6/h4-6,9H,2-3H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid?
2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid has a molecular weight of 301.14 g/mol, XLogP of 1.38, 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-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62696089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).