(2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid

C18H20N2O4 — CID 125438870

IUPAC(2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2cccc(OCc3ccccn3)c2)CCO1
InChIInChI=1S/C18H20N2O4/c21-18(22)17-12-20(8-9-23-17)11-14-4-3-6-16(10-14)24-13-15-5-1-2-7-19-15/h1-7,10,17H,8-9,11-13H2,(H,21,22)/t17-/m0/s1
InChIKeyFUCSRMKRHUSXHS-KRWDZBQOSA-N
MW328.37 g/mol
LogP1.95
Rot. Bonds6

About (2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid

(2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid (PubChem CID 125438870) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid
PubChem CID125438870
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2cccc(OCc3ccccn3)c2)CCO1
InChIInChI=1S/C18H20N2O4/c21-18(22)17-12-20(8-9-23-17)11-14-4-3-6-16(10-14)24-13-15-5-1-2-7-19-15/h1-7,10,17H,8-9,11-13H2,(H,21,22)/t17-/m0/s1
InChIKeyFUCSRMKRHUSXHS-KRWDZBQOSA-N
XLogP1.95
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine-2-carboxylic acid
CID 56872361
(2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid
CID 95866693
2-[4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 50972913
(4aS,7aS)-4-methyl-6-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97160029
1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid
CID 91843758
(3aR,7aR)-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137340328
4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid
CID 62699016
2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 126786698
(3aS,6aR)-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045263
(6S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-(quinolin-8-ylmethyl)-1,4-oxazepane
CID 125023104
(2S)-N-ethyl-4-[(3-phenoxyphenyl)methyl]morpholine-2-carboxamide
CID 125486482
2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine
CID 146037998

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid (CID 125438870) is (2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(Cc2cccc(OCc3ccccn3)c2)CCO1.
What is the InChIKey of (2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid?
The InChIKey is FUCSRMKRHUSXHS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-18(22)17-12-20(8-9-23-17)11-14-4-3-6-16(10-14)24-13-15-5-1-2-7-19-15/h1-7,10,17H,8-9,11-13H2,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid?
(2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125438870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).