5-[[(4-carboxylatofuran-3-carbonyl)amino]methyl]furan-2-carboxylate

C12H7NO7-2 — CID 3347293

IUPAC5-[[(4-carboxylatofuran-3-carbonyl)amino]methyl]furan-2-carboxylate
SMILESO=C([O-])c1ccc(CNC(=O)c2cocc2C(=O)[O-])o1
InChIInChI=1S/C12H9NO7/c14-10(7-4-19-5-8(7)11(15)16)13-3-6-1-2-9(20-6)12(17)18/h1-2,4-5H,3H2,(H,13,14)(H,15,16)(H,17,18)/p-2
InChIKeyYOLQYRVZSNEQMO-UHFFFAOYSA-L
MW277.19 g/mol
LogP-1.47
Rot. Bonds5

About 5-[[(4-carboxylatofuran-3-carbonyl)amino]methyl]furan-2-carboxylate

5-[[(4-carboxylatofuran-3-carbonyl)amino]methyl]furan-2-carboxylate (PubChem CID 3347293) has the molecular formula C12H7NO7-2 and a molecular weight of 277.19 g/mol. Its IUPAC name is 5-[[(4-carboxylatofuran-3-carbonyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Name5-[[(4-carboxylatofuran-3-carbonyl)amino]methyl]furan-2-carboxylate
PubChem CID3347293
Molecular FormulaC12H7NO7-2
Molecular Weight277.19 g/mol
Exact Mass277.02
IUPAC Name5-[[(4-carboxylatofuran-3-carbonyl)amino]methyl]furan-2-carboxylate
SMILESO=C([O-])c1ccc(CNC(=O)c2cocc2C(=O)[O-])o1
InChIInChI=1S/C12H9NO7/c14-10(7-4-19-5-8(7)11(15)16)13-3-6-1-2-9(20-6)12(17)18/h1-2,4-5H,3H2,(H,13,14)(H,15,16)(H,17,18)/p-2
InChIKeyYOLQYRVZSNEQMO-UHFFFAOYSA-L
XLogP-1.47
TPSA135.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 5059082
5-[[(5-amino-2-bromobenzoyl)amino]methyl]furan-2-carboxylic acid
CID 115297434
ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71923929
5-[[4-[(5-carboxylatofuran-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate
CID 3915419
5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527294
5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 120527209
5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246100
5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 120527267
5-[[[4-(2-carboxyethyl)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 57162604
5-[[(3,4-dihydroxybenzoyl)amino]methyl]furan-2-carboxylic acid
CID 107728163
5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 120687786
2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-carboxylatofuran-3-carbonyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of 5-[[(4-carboxylatofuran-3-carbonyl)amino]methyl]furan-2-carboxylate (CID 3347293) is 5-[[(4-carboxylatofuran-3-carbonyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for 5-[[(4-carboxylatofuran-3-carbonyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for 5-[[(4-carboxylatofuran-3-carbonyl)amino]methyl]furan-2-carboxylate is O=C([O-])c1ccc(CNC(=O)c2cocc2C(=O)[O-])o1.
What is the InChIKey of 5-[[(4-carboxylatofuran-3-carbonyl)amino]methyl]furan-2-carboxylate?
The InChIKey is YOLQYRVZSNEQMO-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H9NO7/c14-10(7-4-19-5-8(7)11(15)16)13-3-6-1-2-9(20-6)12(17)18/h1-2,4-5H,3H2,(H,13,14)(H,15,16)(H,17,18)/p-2.
What are the key properties of 5-[[(4-carboxylatofuran-3-carbonyl)amino]methyl]furan-2-carboxylate?
5-[[(4-carboxylatofuran-3-carbonyl)amino]methyl]furan-2-carboxylate has a molecular weight of 277.19 g/mol, XLogP of -1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-carboxylatofuran-3-carbonyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 3347293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).