2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid

C17H17NO4 — CID 119226970

IUPAC2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)C2(c3ccccc3)CC2)cc1C(=O)O
InChIInChI=1S/C17H17NO4/c1-11-14(15(19)20)9-13(22-11)10-18-16(21)17(7-8-17)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyHBALVXUBXISNKF-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.63
Rot. Bonds5

About 2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 119226970) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid
PubChem CID119226970
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)C2(c3ccccc3)CC2)cc1C(=O)O
InChIInChI=1S/C17H17NO4/c1-11-14(15(19)20)9-13(22-11)10-18-16(21)17(7-8-17)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyHBALVXUBXISNKF-UHFFFAOYSA-N
XLogP2.63
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226939
2-methyl-5-[[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226811
5-[[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120523934
methyl 5-[[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 71897404
ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate
CID 71976289
5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61025078
5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 90652511
5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
CID 119245882
5-[(2-chloroprop-2-enylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 113464825
N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide
CID 50941599
5-[[(2-benzyl-3-methylbutanoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226734
2-methyl-5-[[3-(2-methylphenyl)propanoylamino]methyl]furan-3-carboxylic acid
CID 119226401

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid (CID 119226970) is 2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)C2(c3ccccc3)CC2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is HBALVXUBXISNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11-14(15(19)20)9-13(22-11)10-18-16(21)17(7-8-17)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 119226970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).