4-[(2-methoxydibenzofuran-3-yl)amino]-4-oxobutanoic acid

C17H15NO5 — CID 6467354

IUPAC4-[(2-methoxydibenzofuran-3-yl)amino]-4-oxobutanoic acid
SMILESCOc1cc2c(cc1NC(=O)CCC(=O)O)oc1ccccc12
InChIInChI=1S/C17H15NO5/c1-22-15-8-11-10-4-2-3-5-13(10)23-14(11)9-12(15)18-16(19)6-7-17(20)21/h2-5,8-9H,6-7H2,1H3,(H,18,19)(H,20,21)
InChIKeyOZUTWDMYCDJOEG-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.40
Rot. Bonds5

About 4-[(2-methoxydibenzofuran-3-yl)amino]-4-oxobutanoic acid

4-[(2-methoxydibenzofuran-3-yl)amino]-4-oxobutanoic acid (PubChem CID 6467354) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-[(2-methoxydibenzofuran-3-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2-methoxydibenzofuran-3-yl)amino]-4-oxobutanoic acid
PubChem CID6467354
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name4-[(2-methoxydibenzofuran-3-yl)amino]-4-oxobutanoic acid
SMILESCOc1cc2c(cc1NC(=O)CCC(=O)O)oc1ccccc12
InChIInChI=1S/C17H15NO5/c1-22-15-8-11-10-4-2-3-5-13(10)23-14(11)9-12(15)18-16(19)6-7-17(20)21/h2-5,8-9H,6-7H2,1H3,(H,18,19)(H,20,21)
InChIKeyOZUTWDMYCDJOEG-UHFFFAOYSA-N
XLogP3.40
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-3-dibenzofuranamine
CID 22086
3-Dibenzofurancarboxamide, N-(2,5-dimethoxyphenyl)-2-hydroxy-
CID 67239
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methoxy-3-dibenzofuranyl)-
CID 75883
4-(Dibenzofuran-3-ylcarbamoyl)-butyric acid
CID 3122290
1-(2-Methoxydibenzofuran-3-yl)-3-methylthiourea
CID 3336081
N-(2-methoxydibenzo[b,d]furan-3-yl)-N'-propylthiourea
CID 7943253
1-Ethyl-3-(2-methoxydibenzofuran-3-yl)thiourea
CID 8017260
(E)-N-(2-methoxydibenzofuran-3-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 1423897
N-(2-methoxydibenzo[b,d]furan-3-yl)-4-methyl-3-nitrobenzamide
CID 2684576
N-(2-methoxydibenzo[b,d]furan-3-yl)-2-methyl-3-nitrobenzamide
CID 2684640
N-(2-methoxydibenzofuran-3-yl)-2-(4-methoxyphenoxy)acetamide
CID 2711781
N-(2-methoxydibenzo[b,d]furan-3-yl)-N'-(4-methoxyphenyl)urea
CID 2860106

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxydibenzofuran-3-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(2-methoxydibenzofuran-3-yl)amino]-4-oxobutanoic acid (CID 6467354) is 4-[(2-methoxydibenzofuran-3-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2-methoxydibenzofuran-3-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(2-methoxydibenzofuran-3-yl)amino]-4-oxobutanoic acid is COc1cc2c(cc1NC(=O)CCC(=O)O)oc1ccccc12.
What is the InChIKey of 4-[(2-methoxydibenzofuran-3-yl)amino]-4-oxobutanoic acid?
The InChIKey is OZUTWDMYCDJOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-22-15-8-11-10-4-2-3-5-13(10)23-14(11)9-12(15)18-16(19)6-7-17(20)21/h2-5,8-9H,6-7H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(2-methoxydibenzofuran-3-yl)amino]-4-oxobutanoic acid?
4-[(2-methoxydibenzofuran-3-yl)amino]-4-oxobutanoic acid has a molecular weight of 313.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxydibenzofuran-3-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 6467354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).