2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid

C13H16N2O4 — CID 99622343

IUPAC2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1C(=O)Cc1cccnc1
InChIInChI=1S/C13H16N2O4/c16-12(6-10-2-1-3-14-8-10)15-4-5-19-9-11(15)7-13(17)18/h1-3,8,11H,4-7,9H2,(H,17,18)/t11-/m1/s1
InChIKeyRUGUNQITULNFHA-LLVKDONJSA-N
MW264.28 g/mol
LogP0.33
Rot. Bonds4

About 2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid

2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid (PubChem CID 99622343) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid
PubChem CID99622343
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1C(=O)Cc1cccnc1
InChIInChI=1S/C13H16N2O4/c16-12(6-10-2-1-3-14-8-10)15-4-5-19-9-11(15)7-13(17)18/h1-3,8,11H,4-7,9H2,(H,17,18)/t11-/m1/s1
InChIKeyRUGUNQITULNFHA-LLVKDONJSA-N
XLogP0.33
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid
CID 99625562
1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 124991678
2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid
CID 129469711
2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid
CID 56915525
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 115270965
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 79030214
2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743
2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid
CID 124751060
2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid
CID 95889304
2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid
CID 61009259
2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid
CID 129469907

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid (CID 99622343) is 2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid is O=C(O)C[C@@H]1COCCN1C(=O)Cc1cccnc1.
What is the InChIKey of 2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid?
The InChIKey is RUGUNQITULNFHA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-12(6-10-2-1-3-14-8-10)15-4-5-19-9-11(15)7-13(17)18/h1-3,8,11H,4-7,9H2,(H,17,18)/t11-/m1/s1.
What are the key properties of 2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid?
2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 99622343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).