2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid

C12H11NO5 — CID 23825130

IUPAC2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1occc1C(=O)NCc1occc1C(=O)O
InChIInChI=1S/C12H11NO5/c1-7-8(2-4-17-7)11(14)13-6-10-9(12(15)16)3-5-18-10/h2-5H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyXHRAIWOUSSZOEN-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.81
Rot. Bonds4

About 2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid

2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 23825130) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
PubChem CID23825130
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1occc1C(=O)NCc1occc1C(=O)O
InChIInChI=1S/C12H11NO5/c1-7-8(2-4-17-7)11(14)13-6-10-9(12(15)16)3-5-18-10/h2-5H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyXHRAIWOUSSZOEN-UHFFFAOYSA-N
XLogP1.81
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide
CID 54936543
4-[(2-methylfuran-3-carbonyl)amino]butanoic acid
CID 16777160
N-(2,2-diphenylethyl)-2-methylfuran-3-carboxamide
CID 78808962
2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 25402935
2-methyl-N-(1H-pyrazol-5-ylmethyl)furan-3-carboxamide
CID 47285848
5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 5059082
2-methyl-N-pentylfuran-3-carboxamide
CID 4127379
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide
CID 115362271
2-[[(2-methylphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 103239789
2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid
CID 103238234
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide
CID 94183070

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid (CID 23825130) is 2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid is Cc1occc1C(=O)NCc1occc1C(=O)O.
What is the InChIKey of 2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is XHRAIWOUSSZOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-7-8(2-4-17-7)11(14)13-6-10-9(12(15)16)3-5-18-10/h2-5H,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid?
2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 249.22 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 23825130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).