5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid

C17H19NO5 — CID 119245970

IUPAC5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid
SMILESCOc1ccccc1C(C)CC(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C17H19NO5/c1-11(13-5-3-4-6-14(13)22-2)9-16(19)18-10-12-7-8-15(23-12)17(20)21/h3-8,11H,9-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyIVVVHWVXSOBEGP-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.80
Rot. Bonds7

About 5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid

5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid (PubChem CID 119245970) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid
PubChem CID119245970
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid
SMILESCOc1ccccc1C(C)CC(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C17H19NO5/c1-11(13-5-3-4-6-14(13)22-2)9-16(19)18-10-12-7-8-15(23-12)17(20)21/h3-8,11H,9-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyIVVVHWVXSOBEGP-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]furan-2-carboxylic acid
CID 125118561
N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide
CID 119382744
5-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 120687787
5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid
CID 63316923
methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
CID 43218635
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119547903
(2S)-2-[[2-[3-(2-methoxyphenyl)butanoylamino]acetyl]amino]-4-methylpentanoic acid
CID 120695779
5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid
CID 119245773
N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119495811
5-[[4-(2-chlorophenoxy)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245785
5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid
CID 23148945
5-[[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245692

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid (CID 119245970) is 5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid is COc1ccccc1C(C)CC(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid?
The InChIKey is IVVVHWVXSOBEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-11(13-5-3-4-6-14(13)22-2)9-16(19)18-10-12-7-8-15(23-12)17(20)21/h3-8,11H,9-10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid?
5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid has a molecular weight of 317.34 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119245970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).