2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid

C17H26N2O4 — CID 122043633

IUPAC2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCOc1ccc(CN2CCOC(CN(C)CC(=O)O)C2)cc1C
InChIInChI=1S/C17H26N2O4/c1-13-8-14(4-5-16(13)22-3)9-19-6-7-23-15(11-19)10-18(2)12-17(20)21/h4-5,8,15H,6-7,9-12H2,1-3H3,(H,20,21)
InChIKeyLKNMORBWMUOKAD-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.22
Rot. Bonds7

About 2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122043633) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122043633
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCOc1ccc(CN2CCOC(CN(C)CC(=O)O)C2)cc1C
InChIInChI=1S/C17H26N2O4/c1-13-8-14(4-5-16(13)22-3)9-19-6-7-23-15(11-19)10-18(2)12-17(20)21/h4-5,8,15H,6-7,9-12H2,1-3H3,(H,20,21)
InChIKeyLKNMORBWMUOKAD-UHFFFAOYSA-N
XLogP1.22
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid with MolForge

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Related Compounds

2-[[4-[(4-bromo-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043553
2-[[4-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043580
2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 164639926
2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043743
2-[[4-[[4-(4-chlorophenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043659
2-[methyl-[[4-[(4-phenylsulfanylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043801
2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043592
2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043791
2-[[4-[(2-cyclopentyloxyphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043587
1-[(2S)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 97199210
2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043789
N-[[4-[(3,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 42862133

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 122043633) is 2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid is COc1ccc(CN2CCOC(CN(C)CC(=O)O)C2)cc1C.
What is the InChIKey of 2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is LKNMORBWMUOKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-13-8-14(4-5-16(13)22-3)9-19-6-7-23-15(11-19)10-18(2)12-17(20)21/h4-5,8,15H,6-7,9-12H2,1-3H3,(H,20,21).
What are the key properties of 2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 322.41 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122043633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).