2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid

C18H23FN2O4 — CID 120607070

IUPAC2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(C(=O)C2(c3ccc(F)cc3)CC2)CCO1
InChIInChI=1S/C18H23FN2O4/c1-20(12-16(22)23)10-15-11-21(8-9-25-15)17(24)18(6-7-18)13-2-4-14(19)5-3-13/h2-5,15H,6-12H2,1H3,(H,22,23)
InChIKeyHWGYNHHUPIAWSJ-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.10
Rot. Bonds6

About 2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 120607070) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID120607070
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(C(=O)C2(c3ccc(F)cc3)CC2)CCO1
InChIInChI=1S/C18H23FN2O4/c1-20(12-16(22)23)10-15-11-21(8-9-25-15)17(24)18(6-7-18)13-2-4-14(19)5-3-13/h2-5,15H,6-12H2,1H3,(H,22,23)
InChIKeyHWGYNHHUPIAWSJ-UHFFFAOYSA-N
XLogP1.10
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid with MolForge

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Related Compounds

2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid
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2-[[4-[2-(2-fluorophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
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2-[[4-[[2-(3,4-difluorophenyl)-2-methylcyclopropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
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[1-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
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4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
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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-(2,4-dichloro-5-fluorobenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
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2-[methyl-[[4-[(3-methyl-3-phenylcyclobutyl)carbamoyl]morpholin-2-yl]methyl]amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 120607070) is 2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CN(C(=O)C2(c3ccc(F)cc3)CC2)CCO1.
What is the InChIKey of 2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is HWGYNHHUPIAWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O4/c1-20(12-16(22)23)10-15-11-21(8-9-25-15)17(24)18(6-7-18)13-2-4-14(19)5-3-13/h2-5,15H,6-12H2,1H3,(H,22,23).
What are the key properties of 2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 350.39 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 120607070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).