1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

C12H14BrNO4 — CID 81361990

IUPAC1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCC1)c1ccc(Br)o1
InChIInChI=1S/C12H14BrNO4/c13-9-4-3-8(18-9)10(15)14-7-12(11(16)17)5-1-2-6-12/h3-4H,1-2,5-7H2,(H,14,15)(H,16,17)
InChIKeyATLCHKCAXLYVMD-UHFFFAOYSA-N
MW316.15 g/mol
LogP2.42
Rot. Bonds4

About 1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 81361990) has the molecular formula C12H14BrNO4 and a molecular weight of 316.15 g/mol. Its IUPAC name is 1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID81361990
Molecular FormulaC12H14BrNO4
Molecular Weight316.15 g/mol
Exact Mass315.01
IUPAC Name1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCC1)c1ccc(Br)o1
InChIInChI=1S/C12H14BrNO4/c13-9-4-3-8(18-9)10(15)14-7-12(11(16)17)5-1-2-6-12/h3-4H,1-2,5-7H2,(H,14,15)(H,16,17)
InChIKeyATLCHKCAXLYVMD-UHFFFAOYSA-N
XLogP2.42
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic 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

1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309573
5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide
CID 17010723
5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide
CID 91914813
1-[[[4-(hydroxymethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115435645
1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433634
1-[[(4-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369298
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362285
1-[[(3-bromothiophene-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81367156
4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438391
1-[[3-(4-bromophenyl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545011
1-[[[4-(methylsulfanylmethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432933
1-[[(3-bromothiophene-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309582

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 81361990) is 1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCCC1)c1ccc(Br)o1.
What is the InChIKey of 1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is ATLCHKCAXLYVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO4/c13-9-4-3-8(18-9)10(15)14-7-12(11(16)17)5-1-2-6-12/h3-4H,1-2,5-7H2,(H,14,15)(H,16,17).
What are the key properties of 1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 316.15 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81361990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).