4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid

C13H17NO5 — CID 66236338

IUPAC4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCc1cc(C(=O)N(C)C2COCC2C(=O)O)c(C)o1
InChIInChI=1S/C13H17NO5/c1-7-4-9(8(2)19-7)12(15)14(3)11-6-18-5-10(11)13(16)17/h4,10-11H,5-6H2,1-3H3,(H,16,17)
InChIKeyLAMQHQJLOCNWSA-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.07
Rot. Bonds3

About 4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid

4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 66236338) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
PubChem CID66236338
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCc1cc(C(=O)N(C)C2COCC2C(=O)O)c(C)o1
InChIInChI=1S/C13H17NO5/c1-7-4-9(8(2)19-7)12(15)14(3)11-6-18-5-10(11)13(16)17/h4,10-11H,5-6H2,1-3H3,(H,16,17)
InChIKeyLAMQHQJLOCNWSA-UHFFFAOYSA-N
XLogP1.07
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 107959663
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 104669777
4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 106851090
4-[(4-chloro-2-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid
CID 66237354
4-[(2-hydroxy-3,5-diiodobenzoyl)-methylamino]oxolane-3-carboxylic acid
CID 66237753
4-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66237371
4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 114218928
4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid
CID 66235943
4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 107971541
4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid
CID 66236548
4-[methyl-(4-methylsulfanylbenzoyl)amino]oxolane-3-carboxylic acid
CID 66236756
4-[(4-acetyl-1H-pyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66236360

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid (CID 66236338) is 4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid is Cc1cc(C(=O)N(C)C2COCC2C(=O)O)c(C)o1.
What is the InChIKey of 4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is LAMQHQJLOCNWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-7-4-9(8(2)19-7)12(15)14(3)11-6-18-5-10(11)13(16)17/h4,10-11H,5-6H2,1-3H3,(H,16,17).
What are the key properties of 4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66236338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).