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

C19H30N2O3 — CID 122043673

IUPAC2-[methyl-[[4-(3-methyl-2-phenylbutyl)morpholin-2-yl]methyl]amino]acetic acid
SMILESCC(C)C(CN1CCOC(CN(C)CC(=O)O)C1)c1ccccc1
InChIInChI=1S/C19H30N2O3/c1-15(2)18(16-7-5-4-6-8-16)13-21-9-10-24-17(12-21)11-20(3)14-19(22)23/h4-8,15,17-18H,9-14H2,1-3H3,(H,22,23)
InChIKeyHEYXZOXFAHWTSC-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.14
Rot. Bonds8

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

2-[methyl-[[4-(3-methyl-2-phenylbutyl)morpholin-2-yl]methyl]amino]acetic acid (PubChem CID 122043673) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[methyl-[[4-(3-methyl-2-phenylbutyl)morpholin-2-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[4-(3-methyl-2-phenylbutyl)morpholin-2-yl]methyl]amino]acetic acid
PubChem CID122043673
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-[methyl-[[4-(3-methyl-2-phenylbutyl)morpholin-2-yl]methyl]amino]acetic acid
SMILESCC(C)C(CN1CCOC(CN(C)CC(=O)O)C1)c1ccccc1
InChIInChI=1S/C19H30N2O3/c1-15(2)18(16-7-5-4-6-8-16)13-21-9-10-24-17(12-21)11-20(3)14-19(22)23/h4-8,15,17-18H,9-14H2,1-3H3,(H,22,23)
InChIKeyHEYXZOXFAHWTSC-UHFFFAOYSA-N
XLogP2.14
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[[4-[(4-phenylsulfanylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043801
2-[methyl-[[4-[(5-phenylthiophen-2-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043678
2-[[4-[(2-cyclopentyloxyphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043587
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-[[4-[3-(2,6-dichlorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043689
N-(2-chlorophenyl)-2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]acetamide
CID 9041318
2-[methyl-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9039890
2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043734
2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043791
2-[[4-[(4-bromo-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043553
2-[methyl-[[4-[[2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043601

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-(3-methyl-2-phenylbutyl)morpholin-2-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[4-(3-methyl-2-phenylbutyl)morpholin-2-yl]methyl]amino]acetic acid (CID 122043673) is 2-[methyl-[[4-(3-methyl-2-phenylbutyl)morpholin-2-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[4-(3-methyl-2-phenylbutyl)morpholin-2-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[4-(3-methyl-2-phenylbutyl)morpholin-2-yl]methyl]amino]acetic acid is CC(C)C(CN1CCOC(CN(C)CC(=O)O)C1)c1ccccc1.
What is the InChIKey of 2-[methyl-[[4-(3-methyl-2-phenylbutyl)morpholin-2-yl]methyl]amino]acetic acid?
The InChIKey is HEYXZOXFAHWTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-15(2)18(16-7-5-4-6-8-16)13-21-9-10-24-17(12-21)11-20(3)14-19(22)23/h4-8,15,17-18H,9-14H2,1-3H3,(H,22,23).
What are the key properties of 2-[methyl-[[4-(3-methyl-2-phenylbutyl)morpholin-2-yl]methyl]amino]acetic acid?
2-[methyl-[[4-(3-methyl-2-phenylbutyl)morpholin-2-yl]methyl]amino]acetic acid has a molecular weight of 334.46 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-(3-methyl-2-phenylbutyl)morpholin-2-yl]methyl]amino]acetic acid is sourced from PubChem (CID 122043673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).