methyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate

C12H16N2O3 — CID 71977884

IUPACmethyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate
SMILESCOC(=O)CC1CN(c2ccccn2)CCO1
InChIInChI=1S/C12H16N2O3/c1-16-12(15)8-10-9-14(6-7-17-10)11-4-2-3-5-13-11/h2-5,10H,6-9H2,1H3
InChIKeySRSUFXZKQYSUMC-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.85
Rot. Bonds3

About methyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate

methyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate (PubChem CID 71977884) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate
PubChem CID71977884
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate
SMILESCOC(=O)CC1CN(c2ccccn2)CCO1
InChIInChI=1S/C12H16N2O3/c1-16-12(15)8-10-9-14(6-7-17-10)11-4-2-3-5-13-11/h2-5,10H,6-9H2,1H3
InChIKeySRSUFXZKQYSUMC-UHFFFAOYSA-N
XLogP0.85
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-quinolin-2-ylmorpholin-2-yl)acetate
CID 79764299
methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 115538646
methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate
CID 115538633
methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate
CID 79770247
methyl 2-[4-[5-(1-methylcyclopropyl)-2-pyridinyl]morpholin-2-yl]acetate
CID 167896835
methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate
CID 79770872
methyl 2-[4-(4-phenyl-1,3-thiazol-2-yl)morpholin-2-yl]acetate
CID 154750161
2-[(4-methylpyrazol-1-yl)methyl]-4-pyridin-2-ylmorpholine
CID 133281884
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate
CID 115538670
2-[4-(5-methyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66433835
methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate
CID 79827517

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate?
The IUPAC name of methyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate (CID 71977884) is methyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate?
The canonical SMILES for methyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate is COC(=O)CC1CN(c2ccccn2)CCO1.
What is the InChIKey of methyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate?
The InChIKey is SRSUFXZKQYSUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-16-12(15)8-10-9-14(6-7-17-10)11-4-2-3-5-13-11/h2-5,10H,6-9H2,1H3.
What are the key properties of methyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate?
methyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate has a molecular weight of 236.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate is sourced from PubChem (CID 71977884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).