2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid

C22H34N2O4 — CID 122043592

IUPAC2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(Cc2cccc(OCC3CCCCC3)c2)CCO1
InChIInChI=1S/C22H34N2O4/c1-23(16-22(25)26)14-21-15-24(10-11-27-21)13-19-8-5-9-20(12-19)28-17-18-6-3-2-4-7-18/h5,8-9,12,18,21H,2-4,6-7,10-11,13-17H2,1H3,(H,25,26)
InChIKeyPIQCTHXDOMABBY-UHFFFAOYSA-N
MW390.52 g/mol
LogP2.86
Rot. Bonds9

About 2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122043592) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is 2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122043592
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(Cc2cccc(OCC3CCCCC3)c2)CCO1
InChIInChI=1S/C22H34N2O4/c1-23(16-22(25)26)14-21-15-24(10-11-27-21)13-19-8-5-9-20(12-19)28-17-18-6-3-2-4-7-18/h5,8-9,12,18,21H,2-4,6-7,10-11,13-17H2,1H3,(H,25,26)
InChIKeyPIQCTHXDOMABBY-UHFFFAOYSA-N
XLogP2.86
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043743
2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043791
2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043633
2-[[4-[(4-bromo-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043553
1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 122040637
2-[[4-[(2-cyclopentyloxyphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043587
2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 164639926
2-[methyl-[[4-[(4-phenylsulfanylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043801
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-[methyl-[[4-[(5-phenylthiophen-2-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043678
1-[[3-(cyclohexylmethoxy)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125440

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 122043592) is 2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CN(Cc2cccc(OCC3CCCCC3)c2)CCO1.
What is the InChIKey of 2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is PIQCTHXDOMABBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-23(16-22(25)26)14-21-15-24(10-11-27-21)13-19-8-5-9-20(12-19)28-17-18-6-3-2-4-7-18/h5,8-9,12,18,21H,2-4,6-7,10-11,13-17H2,1H3,(H,25,26).
What are the key properties of 2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 390.52 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122043592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).