2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid

C13H16BrNO4 — CID 75513389

IUPAC2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2coc(Br)c2)CCCCC1
InChIInChI=1S/C13H16BrNO4/c14-10-6-9(8-19-10)12(18)15-13(7-11(16)17)4-2-1-3-5-13/h6,8H,1-5,7H2,(H,15,18)(H,16,17)
InChIKeyMWOYVJPGTNAVCC-UHFFFAOYSA-N
MW330.18 g/mol
LogP2.95
Rot. Bonds4

About 2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid

2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid (PubChem CID 75513389) has the molecular formula C13H16BrNO4 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid
PubChem CID75513389
Molecular FormulaC13H16BrNO4
Molecular Weight330.18 g/mol
Exact Mass329.03
IUPAC Name2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2coc(Br)c2)CCCCC1
InChIInChI=1S/C13H16BrNO4/c14-10-6-9(8-19-10)12(18)15-13(7-11(16)17)4-2-1-3-5-13/h6,8H,1-5,7H2,(H,15,18)(H,16,17)
InChIKeyMWOYVJPGTNAVCC-UHFFFAOYSA-N
XLogP2.95
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-ethylcyclobutyl)furan-3-carboxamide
CID 130978943
2-[1-[(3,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114022529
2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid
CID 114037372
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671811
2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid
CID 64672187
2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid
CID 64670782
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366
2-[1-[(4-bromo-3-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845982
2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid
CID 64671935
2-[1-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]cyclohexyl]acetic acid
CID 138005704
2-[1-(1H-pyrrole-2-carbonylamino)cyclohexyl]acetic acid
CID 64670962

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid (CID 75513389) is 2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)c2coc(Br)c2)CCCCC1.
What is the InChIKey of 2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid?
The InChIKey is MWOYVJPGTNAVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO4/c14-10-6-9(8-19-10)12(18)15-13(7-11(16)17)4-2-1-3-5-13/h6,8H,1-5,7H2,(H,15,18)(H,16,17).
What are the key properties of 2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid?
2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid has a molecular weight of 330.18 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 75513389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).