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

C16H30N2O3 — CID 122043779

IUPAC2-[methyl-[[4-[(4-methylcyclohexyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
SMILESCC1CCC(CN2CCOC(CN(C)CC(=O)O)C2)CC1
InChIInChI=1S/C16H30N2O3/c1-13-3-5-14(6-4-13)9-18-7-8-21-15(11-18)10-17(2)12-16(19)20/h13-15H,3-12H2,1-2H3,(H,19,20)
InChIKeyGPYFEVVAIKVNBY-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.53
Rot. Bonds6

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

2-[methyl-[[4-[(4-methylcyclohexyl)methyl]morpholin-2-yl]methyl]amino]acetic acid (PubChem CID 122043779) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[methyl-[[4-[(4-methylcyclohexyl)methyl]morpholin-2-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[4-[(4-methylcyclohexyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
PubChem CID122043779
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[methyl-[[4-[(4-methylcyclohexyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
SMILESCC1CCC(CN2CCOC(CN(C)CC(=O)O)C2)CC1
InChIInChI=1S/C16H30N2O3/c1-13-3-5-14(6-4-13)9-18-7-8-21-15(11-18)10-17(2)12-16(19)20/h13-15H,3-12H2,1-2H3,(H,19,20)
InChIKeyGPYFEVVAIKVNBY-UHFFFAOYSA-N
XLogP1.53
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043734
2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324175
2-[[(2S)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324174
2-[[4-[[4-(4-chlorophenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043659
2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid
CID 129330308
2-[methyl-[[4-(3-methyl-2-phenylbutyl)morpholin-2-yl]methyl]amino]acetic acid
CID 122043673
2-[[4-[(4,5-dichlorothiophen-3-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043695
2-[[4-[(4-bromo-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043553
2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043743
2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122007160
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

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-[(4-methylcyclohexyl)methyl]morpholin-2-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[4-[(4-methylcyclohexyl)methyl]morpholin-2-yl]methyl]amino]acetic acid (CID 122043779) is 2-[methyl-[[4-[(4-methylcyclohexyl)methyl]morpholin-2-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[4-[(4-methylcyclohexyl)methyl]morpholin-2-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[4-[(4-methylcyclohexyl)methyl]morpholin-2-yl]methyl]amino]acetic acid is CC1CCC(CN2CCOC(CN(C)CC(=O)O)C2)CC1.
What is the InChIKey of 2-[methyl-[[4-[(4-methylcyclohexyl)methyl]morpholin-2-yl]methyl]amino]acetic acid?
The InChIKey is GPYFEVVAIKVNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-13-3-5-14(6-4-13)9-18-7-8-21-15(11-18)10-17(2)12-16(19)20/h13-15H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[methyl-[[4-[(4-methylcyclohexyl)methyl]morpholin-2-yl]methyl]amino]acetic acid?
2-[methyl-[[4-[(4-methylcyclohexyl)methyl]morpholin-2-yl]methyl]amino]acetic acid has a molecular weight of 298.43 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-[(4-methylcyclohexyl)methyl]morpholin-2-yl]methyl]amino]acetic acid is sourced from PubChem (CID 122043779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).