(6R)-4-(2-benzo[e][1]benzofuran-2-ylacetyl)-6-methylmorpholine-2-carboxylic acid

C20H19NO5 — CID 120536193

IUPAC(6R)-4-(2-benzo[e][1]benzofuran-2-ylacetyl)-6-methylmorpholine-2-carboxylic acid
SMILESC[C@@H]1CN(C(=O)Cc2cc3c(ccc4ccccc43)o2)CC(C(=O)O)O1
InChIInChI=1S/C20H19NO5/c1-12-10-21(11-18(25-12)20(23)24)19(22)9-14-8-16-15-5-3-2-4-13(15)6-7-17(16)26-14/h2-8,12,18H,9-11H2,1H3,(H,23,24)/t12-,18?/m1/s1
InChIKeyJIZTYMUKBOZTDJ-GKOGFXNCSA-N
MW353.37 g/mol
LogP2.83
Rot. Bonds3

About (6R)-4-(2-benzo[e][1]benzofuran-2-ylacetyl)-6-methylmorpholine-2-carboxylic acid

(6R)-4-(2-benzo[e][1]benzofuran-2-ylacetyl)-6-methylmorpholine-2-carboxylic acid (PubChem CID 120536193) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is (6R)-4-(2-benzo[e][1]benzofuran-2-ylacetyl)-6-methylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-4-(2-benzo[e][1]benzofuran-2-ylacetyl)-6-methylmorpholine-2-carboxylic acid
PubChem CID120536193
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name(6R)-4-(2-benzo[e][1]benzofuran-2-ylacetyl)-6-methylmorpholine-2-carboxylic acid
SMILESC[C@@H]1CN(C(=O)Cc2cc3c(ccc4ccccc43)o2)CC(C(=O)O)O1
InChIInChI=1S/C20H19NO5/c1-12-10-21(11-18(25-12)20(23)24)19(22)9-14-8-16-15-5-3-2-4-13(15)6-7-17(16)26-14/h2-8,12,18H,9-11H2,1H3,(H,23,24)/t12-,18?/m1/s1
InChIKeyJIZTYMUKBOZTDJ-GKOGFXNCSA-N
XLogP2.83
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-benzo[e][1]benzofuran-2-ylacetyl)morpholin-2-yl]acetic acid
CID 120527712
1-(2-benzo[e][1]benzofuran-2-ylacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 146091393
(6R)-4-[2-(3-bromophenyl)sulfanylacetyl]-6-methylmorpholine-2-carboxylic acid
CID 120536225
(6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid
CID 120689588
(6R)-4-[2-(2-chloro-6-methoxyphenyl)acetyl]-6-methylmorpholine-2-carboxylic acid
CID 120689579
(6R)-4-[2-(2-chloro-4-nitrophenyl)acetyl]-6-methylmorpholine-2-carboxylic acid
CID 120536229
4-[(2-benzo[e][1]benzofuran-2-ylacetyl)amino]-3-methylbutanoic acid
CID 120537096
(6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid
CID 120536013
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenyl)ethanone
CID 973340
2-(3,5-dimethylpiperidine-1-carbonyl)benzo[f]chromen-3-one
CID 16645671
2-benzo[e][1]benzofuran-2-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 75388015
(6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid
CID 120536282

Frequently Asked Questions

What is the IUPAC name of (6R)-4-(2-benzo[e][1]benzofuran-2-ylacetyl)-6-methylmorpholine-2-carboxylic acid?
The IUPAC name of (6R)-4-(2-benzo[e][1]benzofuran-2-ylacetyl)-6-methylmorpholine-2-carboxylic acid (CID 120536193) is (6R)-4-(2-benzo[e][1]benzofuran-2-ylacetyl)-6-methylmorpholine-2-carboxylic acid.
What is the SMILES notation for (6R)-4-(2-benzo[e][1]benzofuran-2-ylacetyl)-6-methylmorpholine-2-carboxylic acid?
The canonical SMILES for (6R)-4-(2-benzo[e][1]benzofuran-2-ylacetyl)-6-methylmorpholine-2-carboxylic acid is C[C@@H]1CN(C(=O)Cc2cc3c(ccc4ccccc43)o2)CC(C(=O)O)O1.
What is the InChIKey of (6R)-4-(2-benzo[e][1]benzofuran-2-ylacetyl)-6-methylmorpholine-2-carboxylic acid?
The InChIKey is JIZTYMUKBOZTDJ-GKOGFXNCSA-N. The full InChI is InChI=1S/C20H19NO5/c1-12-10-21(11-18(25-12)20(23)24)19(22)9-14-8-16-15-5-3-2-4-13(15)6-7-17(16)26-14/h2-8,12,18H,9-11H2,1H3,(H,23,24)/t12-,18?/m1/s1.
What are the key properties of (6R)-4-(2-benzo[e][1]benzofuran-2-ylacetyl)-6-methylmorpholine-2-carboxylic acid?
(6R)-4-(2-benzo[e][1]benzofuran-2-ylacetyl)-6-methylmorpholine-2-carboxylic acid has a molecular weight of 353.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(2-benzo[e][1]benzofuran-2-ylacetyl)-6-methylmorpholine-2-carboxylic acid is sourced from PubChem (CID 120536193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).