2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]-2-fluoroacetic acid

C18H24FN3O4 — CID 174311387

IUPAC2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]-2-fluoroacetic acid
SMILESNCc1ccc(N2CC(CN3CCC(C(F)C(=O)O)CC3)OC2=O)cc1
InChIInChI=1S/C18H24FN3O4/c19-16(17(23)24)13-5-7-21(8-6-13)10-15-11-22(18(25)26-15)14-3-1-12(9-20)2-4-14/h1-4,13,15-16H,5-11,20H2,(H,23,24)
InChIKeyRWYUVHXVGFAJCE-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.61
Rot. Bonds6

About 2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]-2-fluoroacetic acid

2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]-2-fluoroacetic acid (PubChem CID 174311387) has the molecular formula C18H24FN3O4 and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]-2-fluoroacetic acid.

Molecular Properties

Compound Name2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]-2-fluoroacetic acid
PubChem CID174311387
Molecular FormulaC18H24FN3O4
Molecular Weight365.41 g/mol
Exact Mass365.18
IUPAC Name2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]-2-fluoroacetic acid
SMILESNCc1ccc(N2CC(CN3CCC(C(F)C(=O)O)CC3)OC2=O)cc1
InChIInChI=1S/C18H24FN3O4/c19-16(17(23)24)13-5-7-21(8-6-13)10-15-11-22(18(25)26-15)14-3-1-12(9-20)2-4-14/h1-4,13,15-16H,5-11,20H2,(H,23,24)
InChIKeyRWYUVHXVGFAJCE-UHFFFAOYSA-N
XLogP1.61
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]-2-fluoroacetic acid with MolForge

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Related Compounds

2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid
CID 19439147
1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid
CID 19439042
[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidin-2-yl] hydrogen carbonate
CID 70343630
[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-2-yl] ethyl carbonate
CID 22078378
2-[[amino-[4-[5-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]methylidene]amino]-1-methylpiperidine-4-carboxylic acid
CID 70051341
2-[4-[[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanedioic acid
CID 19956112
4-[(5R)-2-oxo-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 57281582
[1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] tert-butyl carbonate
CID 22078367
4-[2-oxo-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 57111832
4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide
CID 175803957
4-[[3-[4-(N'-benzoylcarbamimidoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxylic acid
CID 10225915
2-[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-3-yl]acetic acid
CID 57056399

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]-2-fluoroacetic acid?
The IUPAC name of 2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]-2-fluoroacetic acid (CID 174311387) is 2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]-2-fluoroacetic acid.
What is the SMILES notation for 2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]-2-fluoroacetic acid?
The canonical SMILES for 2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]-2-fluoroacetic acid is NCc1ccc(N2CC(CN3CCC(C(F)C(=O)O)CC3)OC2=O)cc1.
What is the InChIKey of 2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]-2-fluoroacetic acid?
The InChIKey is RWYUVHXVGFAJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O4/c19-16(17(23)24)13-5-7-21(8-6-13)10-15-11-22(18(25)26-15)14-3-1-12(9-20)2-4-14/h1-4,13,15-16H,5-11,20H2,(H,23,24).
What are the key properties of 2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]-2-fluoroacetic acid?
2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]-2-fluoroacetic acid has a molecular weight of 365.41 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]-2-fluoroacetic acid is sourced from PubChem (CID 174311387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).