2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid

C19H22N2O4 — CID 95718552

IUPAC2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1Cc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C19H22N2O4/c22-19(23)11-17-14-24-10-9-21(17)12-15-4-6-18(7-5-15)25-13-16-3-1-2-8-20-16/h1-8,17H,9-14H2,(H,22,23)/t17-/m1/s1
InChIKeyLGJMDZLQQOZMSV-QGZVFWFLSA-N
MW342.40 g/mol
LogP2.34
Rot. Bonds7

About 2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid

2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid (PubChem CID 95718552) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
PubChem CID95718552
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1Cc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C19H22N2O4/c22-19(23)11-17-14-24-10-9-21(17)12-15-4-6-18(7-5-15)25-13-16-3-1-2-8-20-16/h1-8,17H,9-14H2,(H,22,23)/t17-/m1/s1
InChIKeyLGJMDZLQQOZMSV-QGZVFWFLSA-N
XLogP2.34
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid
CID 129469768
2-[4-(9H-fluoren-2-ylmethyl)morpholin-3-yl]acetic acid
CID 56913375
N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 86860831
[(3aS,7aR)-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154811558
2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid
CID 95726395
2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 56917100
2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 95729743
2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid
CID 118796116
[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 110908637
2-[(3S)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]morpholin-3-yl]-N,N-dimethylacetamide
CID 95871764
2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid
CID 56912179

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid (CID 95718552) is 2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid is O=C(O)C[C@@H]1COCCN1Cc1ccc(OCc2ccccn2)cc1.
What is the InChIKey of 2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid?
The InChIKey is LGJMDZLQQOZMSV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-19(23)11-17-14-24-10-9-21(17)12-15-4-6-18(7-5-15)25-13-16-3-1-2-8-20-16/h1-8,17H,9-14H2,(H,22,23)/t17-/m1/s1.
What are the key properties of 2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid?
2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid has a molecular weight of 342.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 95718552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).