3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid

C17H19NO5 — CID 120541443

IUPAC3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
SMILESCOCc1ccc(C(=O)Nc2ccc(CC(C)C(=O)O)cc2)o1
InChIInChI=1S/C17H19NO5/c1-11(17(20)21)9-12-3-5-13(6-4-12)18-16(19)15-8-7-14(23-15)10-22-2/h3-8,11H,9-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyAJNYXTTUOIDTLG-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.94
Rot. Bonds7

About 3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid

3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid (PubChem CID 120541443) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
PubChem CID120541443
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
SMILESCOCc1ccc(C(=O)Nc2ccc(CC(C)C(=O)O)cc2)o1
InChIInChI=1S/C17H19NO5/c1-11(17(20)21)9-12-3-5-13(6-4-12)18-16(19)15-8-7-14(23-15)10-22-2/h3-8,11H,9-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyAJNYXTTUOIDTLG-UHFFFAOYSA-N
XLogP2.94
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 30838668
3-[4-(3-methoxypropanoylamino)phenyl]-2-methylpropanoic acid
CID 120541337
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78888813
3-[4-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid
CID 120541290
5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide
CID 78873760
methyl N-[4-[[[5-(methoxymethyl)furan-2-carbonyl]amino]methyl]phenyl]carbamate
CID 78902905
N-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide
CID 78882500
2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 120540971
2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 119213623
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 97019509
5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86913717
5-(methoxymethyl)-N-[2-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 78865416

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid (CID 120541443) is 3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid is COCc1ccc(C(=O)Nc2ccc(CC(C)C(=O)O)cc2)o1.
What is the InChIKey of 3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid?
The InChIKey is AJNYXTTUOIDTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-11(17(20)21)9-12-3-5-13(6-4-12)18-16(19)15-8-7-14(23-15)10-22-2/h3-8,11H,9-10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid?
3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid has a molecular weight of 317.34 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 120541443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).