2-[[4-[3-(2,6-dichlorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid

C17H24Cl2N2O3 — CID 122043689

IUPAC2-[[4-[3-(2,6-dichlorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(CCCc2c(Cl)cccc2Cl)CCO1
InChIInChI=1S/C17H24Cl2N2O3/c1-20(12-17(22)23)10-13-11-21(8-9-24-13)7-3-4-14-15(18)5-2-6-16(14)19/h2,5-6,13H,3-4,7-12H2,1H3,(H,22,23)
InChIKeyBEVLHIUBUDLILC-UHFFFAOYSA-N
MW375.30 g/mol
LogP2.64
Rot. Bonds8

About 2-[[4-[3-(2,6-dichlorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[3-(2,6-dichlorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122043689) has the molecular formula C17H24Cl2N2O3 and a molecular weight of 375.30 g/mol. Its IUPAC name is 2-[[4-[3-(2,6-dichlorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[3-(2,6-dichlorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122043689
Molecular FormulaC17H24Cl2N2O3
Molecular Weight375.30 g/mol
Exact Mass374.12
IUPAC Name2-[[4-[3-(2,6-dichlorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(CCCc2c(Cl)cccc2Cl)CCO1
InChIInChI=1S/C17H24Cl2N2O3/c1-20(12-17(22)23)10-13-11-21(8-9-24-13)7-3-4-14-15(18)5-2-6-16(14)19/h2,5-6,13H,3-4,7-12H2,1H3,(H,22,23)
InChIKeyBEVLHIUBUDLILC-UHFFFAOYSA-N
XLogP2.64
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[3-(3,5-dimethylphenoxy)propyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122082914
2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid
CID 122072081
2-[[4-[[4-(4-chlorophenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043659
2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043734
2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043743
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-[methyl-[[4-(3-methyl-2-phenylbutyl)morpholin-2-yl]methyl]amino]acetic acid
CID 122043673
2-[[4-[(4-bromo-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043553
2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122073549
2-[[4-[(4,5-dichlorothiophen-3-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043695
2-[methyl-[[4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 120606707

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(2,6-dichlorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[3-(2,6-dichlorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 122043689) is 2-[[4-[3-(2,6-dichlorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[3-(2,6-dichlorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[3-(2,6-dichlorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CN(CCCc2c(Cl)cccc2Cl)CCO1.
What is the InChIKey of 2-[[4-[3-(2,6-dichlorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is BEVLHIUBUDLILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O3/c1-20(12-17(22)23)10-13-11-21(8-9-24-13)7-3-4-14-15(18)5-2-6-16(14)19/h2,5-6,13H,3-4,7-12H2,1H3,(H,22,23).
What are the key properties of 2-[[4-[3-(2,6-dichlorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[3-(2,6-dichlorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 375.30 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(2,6-dichlorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122043689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).