(2R)-2-(3-ethoxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid

C17H26N2O4 — CID 97207749

IUPAC(2R)-2-(3-ethoxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid
SMILESCCOc1cccc([C@H](C(=O)O)N(C)CCN2CCOCC2)c1
InChIInChI=1S/C17H26N2O4/c1-3-23-15-6-4-5-14(13-15)16(17(20)21)18(2)7-8-19-9-11-22-12-10-19/h4-6,13,16H,3,7-12H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyCJBIFFDVTHOJPU-MRXNPFEDSA-N
MW322.41 g/mol
LogP1.48
Rot. Bonds8

About (2R)-2-(3-ethoxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid

(2R)-2-(3-ethoxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid (PubChem CID 97207749) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2R)-2-(3-ethoxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(3-ethoxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid
PubChem CID97207749
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name(2R)-2-(3-ethoxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid
SMILESCCOc1cccc([C@H](C(=O)O)N(C)CCN2CCOCC2)c1
InChIInChI=1S/C17H26N2O4/c1-3-23-15-6-4-5-14(13-15)16(17(20)21)18(2)7-8-19-9-11-22-12-10-19/h4-6,13,16H,3,7-12H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyCJBIFFDVTHOJPU-MRXNPFEDSA-N
XLogP1.48
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid
CID 97203147
2-(2-fluoro-6-propan-2-yloxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid
CID 72904648
3-ethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 39835171
1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43504270
N-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride
CID 54600904
2-[butyl(methyl)amino]-2-(3-propan-2-yloxyphenyl)acetic acid
CID 84748524
ethyl (2R)-2-[methyl(2-morpholin-4-ylethyl)amino]propanoate
CID 95623746
1-(3,3-diphenylpropyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-morpholin-4-ylethyl)urea
CID 73356416
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
2-(3,4-dimethoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]acetic acid
CID 72853536
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
N,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide
CID 23557227

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-ethoxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid?
The IUPAC name of (2R)-2-(3-ethoxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid (CID 97207749) is (2R)-2-(3-ethoxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-(3-ethoxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid?
The canonical SMILES for (2R)-2-(3-ethoxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid is CCOc1cccc([C@H](C(=O)O)N(C)CCN2CCOCC2)c1.
What is the InChIKey of (2R)-2-(3-ethoxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid?
The InChIKey is CJBIFFDVTHOJPU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-3-23-15-6-4-5-14(13-15)16(17(20)21)18(2)7-8-19-9-11-22-12-10-19/h4-6,13,16H,3,7-12H2,1-2H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-2-(3-ethoxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid?
(2R)-2-(3-ethoxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid has a molecular weight of 322.41 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-ethoxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid is sourced from PubChem (CID 97207749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).