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

C12H10NO5- — CID 5059082

IUPAC5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
SMILESCc1occc1C(=O)NCc1ccc(C(=O)[O-])o1
InChIInChI=1S/C12H11NO5/c1-7-9(4-5-17-7)11(14)13-6-8-2-3-10(18-8)12(15)16/h2-5H,6H2,1H3,(H,13,14)(H,15,16)/p-1
InChIKeyYOBRTNVYCBTSBS-UHFFFAOYSA-M
MW248.21 g/mol
LogP0.47
Rot. Bonds4

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

5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate (PubChem CID 5059082) has the molecular formula C12H10NO5- and a molecular weight of 248.21 g/mol. Its IUPAC name is 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Name5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
PubChem CID5059082
Molecular FormulaC12H10NO5-
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
SMILESCc1occc1C(=O)NCc1ccc(C(=O)[O-])o1
InChIInChI=1S/C12H11NO5/c1-7-9(4-5-17-7)11(14)13-6-8-2-3-10(18-8)12(15)16/h2-5H,6H2,1H3,(H,13,14)(H,15,16)/p-1
InChIKeyYOBRTNVYCBTSBS-UHFFFAOYSA-M
XLogP0.47
TPSA95.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71923929
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
5-[[(4-carboxylatofuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 3347293
N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide
CID 54936543
2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 25402935
2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 23825130
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-2-methylfuran-3-carboxamide
CID 76932639
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide
CID 94183070
2-methyl-N-(1H-pyrazol-5-ylmethyl)furan-3-carboxamide
CID 47285848
2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 18132456
2-methyl-N-pentylfuran-3-carboxamide
CID 4127379
N-hydroxy-1-[[5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]furan-2-yl]methyl]pyrazol-4-amine oxide
CID 163124481

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate (CID 5059082) is 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate is Cc1occc1C(=O)NCc1ccc(C(=O)[O-])o1.
What is the InChIKey of 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate?
The InChIKey is YOBRTNVYCBTSBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11NO5/c1-7-9(4-5-17-7)11(14)13-6-8-2-3-10(18-8)12(15)16/h2-5H,6H2,1H3,(H,13,14)(H,15,16)/p-1.
What are the key properties of 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate?
5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate has a molecular weight of 248.21 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 5059082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).