2-[4-[[3-[4-[(2,6-dimethylmorpholin-4-yl)iminomethyl]phenyl]-1,2-oxazolidin-5-yl]methyl]piperidin-1-yl]acetic acid

C24H36N4O4 — CID 70119283

IUPAC2-[4-[[3-[4-[(2,6-dimethylmorpholin-4-yl)iminomethyl]phenyl]-1,2-oxazolidin-5-yl]methyl]piperidin-1-yl]acetic acid
SMILESCC1CN(N=Cc2ccc(C3CC(CC4CCN(CC(=O)O)CC4)ON3)cc2)CC(C)O1
InChIInChI=1S/C24H36N4O4/c1-17-14-28(15-18(2)31-17)25-13-20-3-5-21(6-4-20)23-12-22(32-26-23)11-19-7-9-27(10-8-19)16-24(29)30/h3-6,13,17-19,22-23,26H,7-12,14-16H2,1-2H3,(H,29,30)
InChIKeyFWZNONOCVDNNCG-UHFFFAOYSA-N
MW444.58 g/mol
LogP2.65
Rot. Bonds7

About 2-[4-[[3-[4-[(2,6-dimethylmorpholin-4-yl)iminomethyl]phenyl]-1,2-oxazolidin-5-yl]methyl]piperidin-1-yl]acetic acid

2-[4-[[3-[4-[(2,6-dimethylmorpholin-4-yl)iminomethyl]phenyl]-1,2-oxazolidin-5-yl]methyl]piperidin-1-yl]acetic acid (PubChem CID 70119283) has the molecular formula C24H36N4O4 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[4-[[3-[4-[(2,6-dimethylmorpholin-4-yl)iminomethyl]phenyl]-1,2-oxazolidin-5-yl]methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-[4-[(2,6-dimethylmorpholin-4-yl)iminomethyl]phenyl]-1,2-oxazolidin-5-yl]methyl]piperidin-1-yl]acetic acid
PubChem CID70119283
Molecular FormulaC24H36N4O4
Molecular Weight444.58 g/mol
Exact Mass444.27
IUPAC Name2-[4-[[3-[4-[(2,6-dimethylmorpholin-4-yl)iminomethyl]phenyl]-1,2-oxazolidin-5-yl]methyl]piperidin-1-yl]acetic acid
SMILESCC1CN(N=Cc2ccc(C3CC(CC4CCN(CC(=O)O)CC4)ON3)cc2)CC(C)O1
InChIInChI=1S/C24H36N4O4/c1-17-14-28(15-18(2)31-17)25-13-20-3-5-21(6-4-20)23-12-22(32-26-23)11-19-7-9-27(10-8-19)16-24(29)30/h3-6,13,17-19,22-23,26H,7-12,14-16H2,1-2H3,(H,29,30)
InChIKeyFWZNONOCVDNNCG-UHFFFAOYSA-N
XLogP2.65
TPSA86.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[4-[(2,6-dimethylmorpholin-4-yl)iminomethyl]phenyl]-1,2-oxazolidin-5-yl]methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[3-[4-[(2,6-dimethylmorpholin-4-yl)iminomethyl]phenyl]-1,2-oxazolidin-5-yl]methyl]piperidin-1-yl]acetic acid (CID 70119283) is 2-[4-[[3-[4-[(2,6-dimethylmorpholin-4-yl)iminomethyl]phenyl]-1,2-oxazolidin-5-yl]methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[3-[4-[(2,6-dimethylmorpholin-4-yl)iminomethyl]phenyl]-1,2-oxazolidin-5-yl]methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[3-[4-[(2,6-dimethylmorpholin-4-yl)iminomethyl]phenyl]-1,2-oxazolidin-5-yl]methyl]piperidin-1-yl]acetic acid is CC1CN(N=Cc2ccc(C3CC(CC4CCN(CC(=O)O)CC4)ON3)cc2)CC(C)O1.
What is the InChIKey of 2-[4-[[3-[4-[(2,6-dimethylmorpholin-4-yl)iminomethyl]phenyl]-1,2-oxazolidin-5-yl]methyl]piperidin-1-yl]acetic acid?
The InChIKey is FWZNONOCVDNNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O4/c1-17-14-28(15-18(2)31-17)25-13-20-3-5-21(6-4-20)23-12-22(32-26-23)11-19-7-9-27(10-8-19)16-24(29)30/h3-6,13,17-19,22-23,26H,7-12,14-16H2,1-2H3,(H,29,30).
What are the key properties of 2-[4-[[3-[4-[(2,6-dimethylmorpholin-4-yl)iminomethyl]phenyl]-1,2-oxazolidin-5-yl]methyl]piperidin-1-yl]acetic acid?
2-[4-[[3-[4-[(2,6-dimethylmorpholin-4-yl)iminomethyl]phenyl]-1,2-oxazolidin-5-yl]methyl]piperidin-1-yl]acetic acid has a molecular weight of 444.58 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-[4-[(2,6-dimethylmorpholin-4-yl)iminomethyl]phenyl]-1,2-oxazolidin-5-yl]methyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 70119283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).