2-[[4-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid

C23H30N2O4 — CID 122043580

IUPAC2-[[4-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCOc1ccc(-c2ccccc2C)cc1CN1CCOC(CN(C)CC(=O)O)C1
InChIInChI=1S/C23H30N2O4/c1-17-6-4-5-7-21(17)18-8-9-22(28-3)19(12-18)13-25-10-11-29-20(15-25)14-24(2)16-23(26)27/h4-9,12,20H,10-11,13-16H2,1-3H3,(H,26,27)
InChIKeyPMCVWWSGZKYNNH-UHFFFAOYSA-N
MW398.50 g/mol
LogP2.89
Rot. Bonds8

About 2-[[4-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122043580) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-[[4-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122043580
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2-[[4-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCOc1ccc(-c2ccccc2C)cc1CN1CCOC(CN(C)CC(=O)O)C1
InChIInChI=1S/C23H30N2O4/c1-17-6-4-5-7-21(17)18-8-9-22(28-3)19(12-18)13-25-10-11-29-20(15-25)14-24(2)16-23(26)27/h4-9,12,20H,10-11,13-16H2,1-3H3,(H,26,27)
InChIKeyPMCVWWSGZKYNNH-UHFFFAOYSA-N
XLogP2.89
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid with MolForge

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Related Compounds

2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043633
2-[[4-[(2-cyclopentyloxyphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043587
2-[[4-[[4-(4-chlorophenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043659
2-[methyl-[[4-[(5-phenylthiophen-2-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043678
2-[methyl-[[4-[(4-phenylsulfanylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043801
2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043743
2-[[4-[(4-bromo-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043553
2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043789
(2S,3S)-1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]-2-methylpiperidine-3-carboxylic acid
CID 122125095
2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 164639926
2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043791
1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122036450

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 122043580) is 2-[[4-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid is COc1ccc(-c2ccccc2C)cc1CN1CCOC(CN(C)CC(=O)O)C1.
What is the InChIKey of 2-[[4-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is PMCVWWSGZKYNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-17-6-4-5-7-21(17)18-8-9-22(28-3)19(12-18)13-25-10-11-29-20(15-25)14-24(2)16-23(26)27/h4-9,12,20H,10-11,13-16H2,1-3H3,(H,26,27).
What are the key properties of 2-[[4-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 398.50 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122043580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).