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

C16H21N3O5 — CID 19439147

IUPAC2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid
SMILESNCc1ccc(N2CC(CN3CC(OCC(=O)O)C3)OC2=O)cc1
InChIInChI=1S/C16H21N3O5/c17-5-11-1-3-12(4-2-11)19-9-14(24-16(19)22)8-18-6-13(7-18)23-10-15(20)21/h1-4,13-14H,5-10,17H2,(H,20,21)
InChIKeyZTXDOICXKGJEIM-UHFFFAOYSA-N
MW335.36 g/mol
LogP0.26
Rot. Bonds7

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

2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid (PubChem CID 19439147) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid
PubChem CID19439147
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid
SMILESNCc1ccc(N2CC(CN3CC(OCC(=O)O)C3)OC2=O)cc1
InChIInChI=1S/C16H21N3O5/c17-5-11-1-3-12(4-2-11)19-9-14(24-16(19)22)8-18-6-13(7-18)23-10-15(20)21/h1-4,13-14H,5-10,17H2,(H,20,21)
InChIKeyZTXDOICXKGJEIM-UHFFFAOYSA-N
XLogP0.26
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid (CID 19439147) is 2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid is NCc1ccc(N2CC(CN3CC(OCC(=O)O)C3)OC2=O)cc1.
What is the InChIKey of 2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid?
The InChIKey is ZTXDOICXKGJEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c17-5-11-1-3-12(4-2-11)19-9-14(24-16(19)22)8-18-6-13(7-18)23-10-15(20)21/h1-4,13-14H,5-10,17H2,(H,20,21).
What are the key properties of 2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid?
2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid has a molecular weight of 335.36 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 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]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 19439147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).