2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid

C20H25N3O3 — CID 122043791

IUPAC2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
SMILESCN(CC(=O)O)CC1CN(Cc2cccc(-c3ccccn3)c2)CCO1
InChIInChI=1S/C20H25N3O3/c1-22(15-20(24)25)13-18-14-23(9-10-26-18)12-16-5-4-6-17(11-16)19-7-2-3-8-21-19/h2-8,11,18H,9-10,12-15H2,1H3,(H,24,25)
InChIKeyXBNUDEXYXWDUHH-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.97
Rot. Bonds7

About 2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid

2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid (PubChem CID 122043791) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
PubChem CID122043791
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
SMILESCN(CC(=O)O)CC1CN(Cc2cccc(-c3ccccn3)c2)CCO1
InChIInChI=1S/C20H25N3O3/c1-22(15-20(24)25)13-18-14-23(9-10-26-18)12-16-5-4-6-17(11-16)19-7-2-3-8-21-19/h2-8,11,18H,9-10,12-15H2,1H3,(H,24,25)
InChIKeyXBNUDEXYXWDUHH-UHFFFAOYSA-N
XLogP1.97
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid with MolForge

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Related Compounds

2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043743
(2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid
CID 95866693
2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 164639926
2-[methyl-[[4-[(5-phenylthiophen-2-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043678
2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043592
2-[methyl-[[4-[(4-phenylsulfanylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043801
2-[[4-[(4-bromo-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043553
2-[[4-[[4-(4-chlorophenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043659
2-[methyl-[[4-[[2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043601
2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043633
(2R)-1-methyl-4-[(3-pyridin-2-ylphenyl)methyl]piperazine-2-carboxylic acid
CID 95189473
2-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043660

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid (CID 122043791) is 2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid is CN(CC(=O)O)CC1CN(Cc2cccc(-c3ccccn3)c2)CCO1.
What is the InChIKey of 2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid?
The InChIKey is XBNUDEXYXWDUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-22(15-20(24)25)13-18-14-23(9-10-26-18)12-16-5-4-6-17(11-16)19-7-2-3-8-21-19/h2-8,11,18H,9-10,12-15H2,1H3,(H,24,25).
What are the key properties of 2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid?
2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid has a molecular weight of 355.44 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid is sourced from PubChem (CID 122043791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).