ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate

C13H18N2O3 — CID 124585393

IUPACethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate
SMILESCCOC(=O)[C@H](c1ccncc1)N1CCOCC1
InChIInChI=1S/C13H18N2O3/c1-2-18-13(16)12(11-3-5-14-6-4-11)15-7-9-17-10-8-15/h3-6,12H,2,7-10H2,1H3/t12-/m0/s1
InChIKeyJJGISDOMIQIXGF-LBPRGKRZSA-N
MW250.30 g/mol
LogP1.02
Rot. Bonds4

About ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate

ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate (PubChem CID 124585393) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate.

Molecular Properties

Compound Nameethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate
PubChem CID124585393
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate
SMILESCCOC(=O)[C@H](c1ccncc1)N1CCOCC1
InChIInChI=1S/C13H18N2O3/c1-2-18-13(16)12(11-3-5-14-6-4-11)15-7-9-17-10-8-15/h3-6,12H,2,7-10H2,1H3/t12-/m0/s1
InChIKeyJJGISDOMIQIXGF-LBPRGKRZSA-N
XLogP1.02
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yl-2-pyridin-4-ylacetamide
CID 25219323
2-morpholin-4-yl-2-pyridin-4-ylacetohydrazide
CID 46318243
(2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid
CID 27378601
methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate
CID 116860405
ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
CID 162420045
ethyl 2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylacetate
CID 71490363
ethyl (2S,3S)-2,3-dimorpholin-4-yl-3-phenylpropanoate
CID 680324
ethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate
CID 101092086
N-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide
CID 3454451
2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid
CID 84751366
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid
CID 95359616

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate?
The IUPAC name of ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate (CID 124585393) is ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate.
What is the SMILES notation for ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate?
The canonical SMILES for ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate is CCOC(=O)[C@H](c1ccncc1)N1CCOCC1.
What is the InChIKey of ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate?
The InChIKey is JJGISDOMIQIXGF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-18-13(16)12(11-3-5-14-6-4-11)15-7-9-17-10-8-15/h3-6,12H,2,7-10H2,1H3/t12-/m0/s1.
What are the key properties of ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate?
ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate has a molecular weight of 250.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate is sourced from PubChem (CID 124585393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).