(2R)-2-[(2-ethoxycarbonyl-1-benzofuran-5-yl)oxymethyl]morpholine-4-carboxylic acid

C17H19NO7 — CID 143391238

IUPAC(2R)-2-[(2-ethoxycarbonyl-1-benzofuran-5-yl)oxymethyl]morpholine-4-carboxylic acid
SMILESCCOC(=O)c1cc2cc(OC[C@H]3CN(C(=O)O)CCO3)ccc2o1
InChIInChI=1S/C17H19NO7/c1-2-22-16(19)15-8-11-7-12(3-4-14(11)25-15)24-10-13-9-18(17(20)21)5-6-23-13/h3-4,7-8,13H,2,5-6,9-10H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyHFVXCOXKKQMGMY-CYBMUJFWSA-N
MW349.34 g/mol
LogP2.37
Rot. Bonds5

About (2R)-2-[(2-ethoxycarbonyl-1-benzofuran-5-yl)oxymethyl]morpholine-4-carboxylic acid

(2R)-2-[(2-ethoxycarbonyl-1-benzofuran-5-yl)oxymethyl]morpholine-4-carboxylic acid (PubChem CID 143391238) has the molecular formula C17H19NO7 and a molecular weight of 349.34 g/mol. Its IUPAC name is (2R)-2-[(2-ethoxycarbonyl-1-benzofuran-5-yl)oxymethyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(2-ethoxycarbonyl-1-benzofuran-5-yl)oxymethyl]morpholine-4-carboxylic acid
PubChem CID143391238
Molecular FormulaC17H19NO7
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name(2R)-2-[(2-ethoxycarbonyl-1-benzofuran-5-yl)oxymethyl]morpholine-4-carboxylic acid
SMILESCCOC(=O)c1cc2cc(OC[C@H]3CN(C(=O)O)CCO3)ccc2o1
InChIInChI=1S/C17H19NO7/c1-2-22-16(19)15-8-11-7-12(3-4-14(11)25-15)24-10-13-9-18(17(20)21)5-6-23-13/h3-4,7-8,13H,2,5-6,9-10H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyHFVXCOXKKQMGMY-CYBMUJFWSA-N
XLogP2.37
TPSA98.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[(4-methylmorpholin-2-yl)methoxy]-1-benzofuran-2-yl]ethenol
CID 70318801
ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate
CID 18668888
1-[3,4-dimethoxy-2-[[4-(5-methoxy-1-benzofuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone
CID 3773726
2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone
CID 46100167
[2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 81210117
1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
CID 46041088
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
ethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate
CID 102567699
[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 46041087
1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one
CID 46059317
1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 3694705
5-butoxy-1-benzofuran-2-carboxylic acid
CID 67998736

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-ethoxycarbonyl-1-benzofuran-5-yl)oxymethyl]morpholine-4-carboxylic acid?
The IUPAC name of (2R)-2-[(2-ethoxycarbonyl-1-benzofuran-5-yl)oxymethyl]morpholine-4-carboxylic acid (CID 143391238) is (2R)-2-[(2-ethoxycarbonyl-1-benzofuran-5-yl)oxymethyl]morpholine-4-carboxylic acid.
What is the SMILES notation for (2R)-2-[(2-ethoxycarbonyl-1-benzofuran-5-yl)oxymethyl]morpholine-4-carboxylic acid?
The canonical SMILES for (2R)-2-[(2-ethoxycarbonyl-1-benzofuran-5-yl)oxymethyl]morpholine-4-carboxylic acid is CCOC(=O)c1cc2cc(OC[C@H]3CN(C(=O)O)CCO3)ccc2o1.
What is the InChIKey of (2R)-2-[(2-ethoxycarbonyl-1-benzofuran-5-yl)oxymethyl]morpholine-4-carboxylic acid?
The InChIKey is HFVXCOXKKQMGMY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19NO7/c1-2-22-16(19)15-8-11-7-12(3-4-14(11)25-15)24-10-13-9-18(17(20)21)5-6-23-13/h3-4,7-8,13H,2,5-6,9-10H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-[(2-ethoxycarbonyl-1-benzofuran-5-yl)oxymethyl]morpholine-4-carboxylic acid?
(2R)-2-[(2-ethoxycarbonyl-1-benzofuran-5-yl)oxymethyl]morpholine-4-carboxylic acid has a molecular weight of 349.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-ethoxycarbonyl-1-benzofuran-5-yl)oxymethyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 143391238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).