1-[(2-bromofuran-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C11H12BrNO4 — CID 106850899

IUPAC1-[(2-bromofuran-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1ccoc1Br
InChIInChI=1S/C11H12BrNO4/c12-8-7(3-6-17-8)9(14)13-11(10(15)16)4-1-2-5-11/h3,6H,1-2,4-5H2,(H,13,14)(H,15,16)
InChIKeyCRULYFJAFREUMK-UHFFFAOYSA-N
MW302.12 g/mol
LogP2.17
Rot. Bonds3

About 1-[(2-bromofuran-3-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(2-bromofuran-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106850899) has the molecular formula C11H12BrNO4 and a molecular weight of 302.12 g/mol. Its IUPAC name is 1-[(2-bromofuran-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-bromofuran-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106850899
Molecular FormulaC11H12BrNO4
Molecular Weight302.12 g/mol
Exact Mass300.99
IUPAC Name1-[(2-bromofuran-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1ccoc1Br
InChIInChI=1S/C11H12BrNO4/c12-8-7(3-6-17-8)9(14)13-11(10(15)16)4-1-2-5-11/h3,6H,1-2,4-5H2,(H,13,14)(H,15,16)
InChIKeyCRULYFJAFREUMK-UHFFFAOYSA-N
XLogP2.17
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromofuran-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 106850974
1-(furan-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 43151397
2-bromo-N-[1-(chloromethyl)cyclopropyl]furan-3-carboxamide
CID 106856218
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide
CID 107091848
1-(furan-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 43151464
1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329492
2-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)furan-3-carboxamide
CID 106852171
2-[(2-bromofuran-3-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 106851180
2-bromo-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-3-carboxamide
CID 106853081
1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158869
1-[(5-bromothiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341656
1-[(2-bromo-4-chlorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 107986460

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromofuran-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-bromofuran-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 106850899) is 1-[(2-bromofuran-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-bromofuran-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-bromofuran-3-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1ccoc1Br.
What is the InChIKey of 1-[(2-bromofuran-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is CRULYFJAFREUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO4/c12-8-7(3-6-17-8)9(14)13-11(10(15)16)4-1-2-5-11/h3,6H,1-2,4-5H2,(H,13,14)(H,15,16).
What are the key properties of 1-[(2-bromofuran-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(2-bromofuran-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 302.12 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromofuran-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106850899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).