(6R)-4-[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-6-methylmorpholine-2-carboxylic acid

C16H19F2NO5 — CID 120536138

IUPAC(6R)-4-[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-6-methylmorpholine-2-carboxylic acid
SMILESCCOc1ccccc1C(F)(F)C(=O)N1CC(C(=O)O)O[C@H](C)C1
InChIInChI=1S/C16H19F2NO5/c1-3-23-12-7-5-4-6-11(12)16(17,18)15(22)19-8-10(2)24-13(9-19)14(20)21/h4-7,10,13H,3,8-9H2,1-2H3,(H,20,21)/t10-,13?/m1/s1
InChIKeyPWEIPWNULCNXGA-VUUHIHSGSA-N
MW343.33 g/mol
LogP1.88
Rot. Bonds5

About (6R)-4-[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-6-methylmorpholine-2-carboxylic acid

(6R)-4-[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-6-methylmorpholine-2-carboxylic acid (PubChem CID 120536138) has the molecular formula C16H19F2NO5 and a molecular weight of 343.33 g/mol. Its IUPAC name is (6R)-4-[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-6-methylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-4-[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-6-methylmorpholine-2-carboxylic acid
PubChem CID120536138
Molecular FormulaC16H19F2NO5
Molecular Weight343.33 g/mol
Exact Mass343.12
IUPAC Name(6R)-4-[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-6-methylmorpholine-2-carboxylic acid
SMILESCCOc1ccccc1C(F)(F)C(=O)N1CC(C(=O)O)O[C@H](C)C1
InChIInChI=1S/C16H19F2NO5/c1-3-23-12-7-5-4-6-11(12)16(17,18)15(22)19-8-10(2)24-13(9-19)14(20)21/h4-7,10,13H,3,8-9H2,1-2H3,(H,20,21)/t10-,13?/m1/s1
InChIKeyPWEIPWNULCNXGA-VUUHIHSGSA-N
XLogP1.88
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]piperidin-4-yl]acetic acid
CID 120515457
N-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108877135
(3S,4S)-1-[2-(2-ethoxyphenoxy)acetyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950377
1-[(2-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 3253155
(6R)-4-[2-(2-chloro-6-methoxyphenyl)acetyl]-6-methylmorpholine-2-carboxylic acid
CID 120689579
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-ethoxyphenyl)methanone
CID 102938261
(3S,4S)-1-(2-ethoxybenzoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120949156
2-(2,6-dimethylmorpholin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 6470205
(6R)-6-methyl-4-(2-phenylmethoxypyridine-4-carbonyl)morpholine-2-carboxylic acid
CID 120536224
(6R)-6-methyl-4-[3-oxo-3-(2,2,2-trifluoroethylamino)propanoyl]morpholine-2-carboxylic acid
CID 120536137
2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-ethylamino]acetic acid
CID 120519752
(6R)-6-methyl-4-(3-methylpyridine-2-carbonyl)morpholine-2-carboxylic acid
CID 120536159

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-6-methylmorpholine-2-carboxylic acid?
The IUPAC name of (6R)-4-[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-6-methylmorpholine-2-carboxylic acid (CID 120536138) is (6R)-4-[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-6-methylmorpholine-2-carboxylic acid.
What is the SMILES notation for (6R)-4-[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-6-methylmorpholine-2-carboxylic acid?
The canonical SMILES for (6R)-4-[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-6-methylmorpholine-2-carboxylic acid is CCOc1ccccc1C(F)(F)C(=O)N1CC(C(=O)O)O[C@H](C)C1.
What is the InChIKey of (6R)-4-[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-6-methylmorpholine-2-carboxylic acid?
The InChIKey is PWEIPWNULCNXGA-VUUHIHSGSA-N. The full InChI is InChI=1S/C16H19F2NO5/c1-3-23-12-7-5-4-6-11(12)16(17,18)15(22)19-8-10(2)24-13(9-19)14(20)21/h4-7,10,13H,3,8-9H2,1-2H3,(H,20,21)/t10-,13?/m1/s1.
What are the key properties of (6R)-4-[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-6-methylmorpholine-2-carboxylic acid?
(6R)-4-[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-6-methylmorpholine-2-carboxylic acid has a molecular weight of 343.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-6-methylmorpholine-2-carboxylic acid is sourced from PubChem (CID 120536138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).