2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid

C19H20N2O5 — CID 129469980

IUPAC2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1COCCN1C(=O)c1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C19H20N2O5/c22-18(23)10-16-13-25-9-8-21(16)19(24)15-6-7-17(20-11-15)26-12-14-4-2-1-3-5-14/h1-7,11,16H,8-10,12-13H2,(H,22,23)/t16-/m0/s1
InChIKeyUAFDWSKHRUNOQY-INIZCTEOSA-N
MW356.38 g/mol
LogP1.98
Rot. Bonds6

About 2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid

2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid (PubChem CID 129469980) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid
PubChem CID129469980
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1COCCN1C(=O)c1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C19H20N2O5/c22-18(23)10-16-13-25-9-8-21(16)19(24)15-6-7-17(20-11-15)26-12-14-4-2-1-3-5-14/h1-7,11,16H,8-10,12-13H2,(H,22,23)/t16-/m0/s1
InChIKeyUAFDWSKHRUNOQY-INIZCTEOSA-N
XLogP1.98
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid
CID 129469768
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone
CID 95277197
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid
CID 56915525
[6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone
CID 164638802
2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid
CID 129469711
1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120533820
2-[(3R)-4-[4-(1,2,4-triazol-4-yl)benzoyl]morpholin-3-yl]acetic acid
CID 95711799
4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid
CID 119215842
2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid
CID 129469902
2-[(3S)-4-(3-chloro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 124572821
2-[4-(3,5-dibromobenzoyl)morpholin-3-yl]acetic acid
CID 107971589

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid (CID 129469980) is 2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid is O=C(O)C[C@H]1COCCN1C(=O)c1ccc(OCc2ccccc2)nc1.
What is the InChIKey of 2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid?
The InChIKey is UAFDWSKHRUNOQY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N2O5/c22-18(23)10-16-13-25-9-8-21(16)19(24)15-6-7-17(20-11-15)26-12-14-4-2-1-3-5-14/h1-7,11,16H,8-10,12-13H2,(H,22,23)/t16-/m0/s1.
What are the key properties of 2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid?
2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid has a molecular weight of 356.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 129469980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).