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

C12H15BrN2O3 — CID 64671811

IUPAC2-[1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(Br)c[nH]2)CCCC1
InChIInChI=1S/C12H15BrN2O3/c13-8-5-9(14-7-8)11(18)15-12(6-10(16)17)3-1-2-4-12/h5,7,14H,1-4,6H2,(H,15,18)(H,16,17)
InChIKeySODFIEOUUVTSCZ-UHFFFAOYSA-N
MW315.17 g/mol
LogP2.29
Rot. Bonds4

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

2-[1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclopentyl]acetic acid (PubChem CID 64671811) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-[1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclopentyl]acetic acid
PubChem CID64671811
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name2-[1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(Br)c[nH]2)CCCC1
InChIInChI=1S/C12H15BrN2O3/c13-8-5-9(14-7-8)11(18)15-12(6-10(16)17)3-1-2-4-12/h5,7,14H,1-4,6H2,(H,15,18)(H,16,17)
InChIKeySODFIEOUUVTSCZ-UHFFFAOYSA-N
XLogP2.29
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 63887592
4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1H-pyrrole-2-carboxamide
CID 62525276
2-[1-[(3,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114022529
2-[1-(1H-pyrrole-2-carbonylamino)cyclohexyl]acetic acid
CID 64670962
1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294681
2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114368164
2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid
CID 75513389
2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid
CID 114037372
4-acetyl-N-[1-(hydroxymethyl)cyclohexyl]-1H-pyrrole-2-carboxamide
CID 62521821
N-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 63888390
4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide
CID 103737365
2-[1-[(4-bromo-2-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79849405

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclopentyl]acetic acid (CID 64671811) is 2-[1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)c2cc(Br)c[nH]2)CCCC1.
What is the InChIKey of 2-[1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclopentyl]acetic acid?
The InChIKey is SODFIEOUUVTSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c13-8-5-9(14-7-8)11(18)15-12(6-10(16)17)3-1-2-4-12/h5,7,14H,1-4,6H2,(H,15,18)(H,16,17).
What are the key properties of 2-[1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclopentyl]acetic acid?
2-[1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclopentyl]acetic acid has a molecular weight of 315.17 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64671811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).