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

C21H26N2O3 — CID 164638981

IUPAC(2R)-2-[methyl(2-morpholin-4-ylethyl)amino]-2-(3-phenylphenyl)acetic acid
SMILESCN(CCN1CCOCC1)[C@@H](C(=O)O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c1-22(10-11-23-12-14-26-15-13-23)20(21(24)25)19-9-5-8-18(16-19)17-6-3-2-4-7-17/h2-9,16,20H,10-15H2,1H3,(H,24,25)/t20-/m1/s1
InChIKeyOPXJJSSUYSCCEZ-HXUWFJFHSA-N
MW354.45 g/mol
LogP2.74
Rot. Bonds7

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

(2R)-2-[methyl(2-morpholin-4-ylethyl)amino]-2-(3-phenylphenyl)acetic acid (PubChem CID 164638981) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2R)-2-[methyl(2-morpholin-4-ylethyl)amino]-2-(3-phenylphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-[methyl(2-morpholin-4-ylethyl)amino]-2-(3-phenylphenyl)acetic acid
PubChem CID164638981
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(2R)-2-[methyl(2-morpholin-4-ylethyl)amino]-2-(3-phenylphenyl)acetic acid
SMILESCN(CCN1CCOCC1)[C@@H](C(=O)O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c1-22(10-11-23-12-14-26-15-13-23)20(21(24)25)19-9-5-8-18(16-19)17-6-3-2-4-7-17/h2-9,16,20H,10-15H2,1H3,(H,24,25)/t20-/m1/s1
InChIKeyOPXJJSSUYSCCEZ-HXUWFJFHSA-N
XLogP2.74
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl(2-morpholin-4-ylethyl)amino]-2-(3-phenylphenyl)acetic acid?
The IUPAC name of (2R)-2-[methyl(2-morpholin-4-ylethyl)amino]-2-(3-phenylphenyl)acetic acid (CID 164638981) is (2R)-2-[methyl(2-morpholin-4-ylethyl)amino]-2-(3-phenylphenyl)acetic acid.
What is the SMILES notation for (2R)-2-[methyl(2-morpholin-4-ylethyl)amino]-2-(3-phenylphenyl)acetic acid?
The canonical SMILES for (2R)-2-[methyl(2-morpholin-4-ylethyl)amino]-2-(3-phenylphenyl)acetic acid is CN(CCN1CCOCC1)[C@@H](C(=O)O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of (2R)-2-[methyl(2-morpholin-4-ylethyl)amino]-2-(3-phenylphenyl)acetic acid?
The InChIKey is OPXJJSSUYSCCEZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-22(10-11-23-12-14-26-15-13-23)20(21(24)25)19-9-5-8-18(16-19)17-6-3-2-4-7-17/h2-9,16,20H,10-15H2,1H3,(H,24,25)/t20-/m1/s1.
What are the key properties of (2R)-2-[methyl(2-morpholin-4-ylethyl)amino]-2-(3-phenylphenyl)acetic acid?
(2R)-2-[methyl(2-morpholin-4-ylethyl)amino]-2-(3-phenylphenyl)acetic acid has a molecular weight of 354.45 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl(2-morpholin-4-ylethyl)amino]-2-(3-phenylphenyl)acetic acid is sourced from PubChem (CID 164638981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).