2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid

C18H18N2O5 — CID 129469711

IUPAC2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1COCCN1C(=O)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C18H18N2O5/c21-17(22)10-14-12-24-9-8-20(14)18(23)13-3-5-15(6-4-13)25-16-2-1-7-19-11-16/h1-7,11,14H,8-10,12H2,(H,21,22)/t14-/m0/s1
InChIKeyDKYVNDJKJLHRNU-AWEZNQCLSA-N
MW342.35 g/mol
LogP2.19
Rot. Bonds5

About 2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid

2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid (PubChem CID 129469711) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid
PubChem CID129469711
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1COCCN1C(=O)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C18H18N2O5/c21-17(22)10-14-12-24-9-8-20(14)18(23)13-3-5-15(6-4-13)25-16-2-1-7-19-11-16/h1-7,11,14H,8-10,12H2,(H,21,22)/t14-/m0/s1
InChIKeyDKYVNDJKJLHRNU-AWEZNQCLSA-N
XLogP2.19
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid
CID 129469768
2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid
CID 99625562
2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid
CID 99622343
2-[(3R)-4-[4-(1,2,4-triazol-4-yl)benzoyl]morpholin-3-yl]acetic acid
CID 95711799
2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid
CID 95728578
[2-(2-hydroxyethyl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
CID 110906671
2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid
CID 95889304
2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid
CID 129469980
2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371830
4-pyridin-3-yloxybenzoic acid
CID 22261667
2-[(3S)-4-(3-chloro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 124572821

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid (CID 129469711) is 2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid is O=C(O)C[C@H]1COCCN1C(=O)c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of 2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid?
The InChIKey is DKYVNDJKJLHRNU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N2O5/c21-17(22)10-14-12-24-9-8-20(14)18(23)13-3-5-15(6-4-13)25-16-2-1-7-19-11-16/h1-7,11,14H,8-10,12H2,(H,21,22)/t14-/m0/s1.
What are the key properties of 2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid?
2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid has a molecular weight of 342.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 129469711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).