4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]morpholine-2-carboxylic acid

C16H17NO6 — CID 119238690

IUPAC4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]morpholine-2-carboxylic acid
SMILESCOCc1c(C(=O)N2CCOC(C(=O)O)C2)oc2ccccc12
InChIInChI=1S/C16H17NO6/c1-21-9-11-10-4-2-3-5-12(10)23-14(11)15(18)17-6-7-22-13(8-17)16(19)20/h2-5,13H,6-9H2,1H3,(H,19,20)
InChIKeyCPFJMGCDBPIQLT-UHFFFAOYSA-N
MW319.31 g/mol
LogP1.50
Rot. Bonds4

About 4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]morpholine-2-carboxylic acid

4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]morpholine-2-carboxylic acid (PubChem CID 119238690) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]morpholine-2-carboxylic acid
PubChem CID119238690
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]morpholine-2-carboxylic acid
SMILESCOCc1c(C(=O)N2CCOC(C(=O)O)C2)oc2ccccc12
InChIInChI=1S/C16H17NO6/c1-21-9-11-10-4-2-3-5-12(10)23-14(11)15(18)17-6-7-22-13(8-17)16(19)20/h2-5,13H,6-9H2,1H3,(H,19,20)
InChIKeyCPFJMGCDBPIQLT-UHFFFAOYSA-N
XLogP1.50
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone
CID 18105358
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
CID 120744860
N-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55665868
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
CID 71927991
4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119357933
[3-(methoxymethyl)-1-benzofuran-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38573803
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
CID 55601347
(3aS,7aS)-2-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120626825
(2S)-4-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 129415258
2-[4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 55641422
[3-(methoxymethyl)-1-benzofuran-2-yl]-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone
CID 2453088
[3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 35809417

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]morpholine-2-carboxylic acid (CID 119238690) is 4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]morpholine-2-carboxylic acid is COCc1c(C(=O)N2CCOC(C(=O)O)C2)oc2ccccc12.
What is the InChIKey of 4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is CPFJMGCDBPIQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6/c1-21-9-11-10-4-2-3-5-12(10)23-14(11)15(18)17-6-7-22-13(8-17)16(19)20/h2-5,13H,6-9H2,1H3,(H,19,20).
What are the key properties of 4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]morpholine-2-carboxylic acid?
4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 319.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119238690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).