4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid

C11H12BrNO5 — CID 106851090

IUPAC4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)c1ccoc1Br)C1COCC1C(=O)O
InChIInChI=1S/C11H12BrNO5/c1-13(8-5-17-4-7(8)11(15)16)10(14)6-2-3-18-9(6)12/h2-3,7-8H,4-5H2,1H3,(H,15,16)
InChIKeyLKMAXSNOWRDIPG-UHFFFAOYSA-N
MW318.12 g/mol
LogP1.21
Rot. Bonds3

About 4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid

4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 106851090) has the molecular formula C11H12BrNO5 and a molecular weight of 318.12 g/mol. Its IUPAC name is 4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
PubChem CID106851090
Molecular FormulaC11H12BrNO5
Molecular Weight318.12 g/mol
Exact Mass316.99
IUPAC Name4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)c1ccoc1Br)C1COCC1C(=O)O
InChIInChI=1S/C11H12BrNO5/c1-13(8-5-17-4-7(8)11(15)16)10(14)6-2-3-18-9(6)12/h2-3,7-8H,4-5H2,1H3,(H,15,16)
InChIKeyLKMAXSNOWRDIPG-UHFFFAOYSA-N
XLogP1.21
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.12
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid
CID 66235348
4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66237142
4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66236338
4-[(4-chloro-2-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid
CID 66237354
4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid
CID 66235943
4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 107959663
4-[(3-amino-4-bromobenzoyl)-methylamino]oxolane-3-carboxylic acid
CID 107813167
4-[methyl-(4-methylsulfanylbenzoyl)amino]oxolane-3-carboxylic acid
CID 66236756
4-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66237371
4-[(2-hydroxy-3,5-diiodobenzoyl)-methylamino]oxolane-3-carboxylic acid
CID 66237753
2-bromo-N-methyl-N-piperidin-4-ylfuran-3-carboxamide
CID 106855036
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 104669777

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid (CID 106851090) is 4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid is CN(C(=O)c1ccoc1Br)C1COCC1C(=O)O.
What is the InChIKey of 4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is LKMAXSNOWRDIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO5/c1-13(8-5-17-4-7(8)11(15)16)10(14)6-2-3-18-9(6)12/h2-3,7-8H,4-5H2,1H3,(H,15,16).
What are the key properties of 4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 318.12 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 106851090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).