2-[(2S)-4-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]morpholin-2-yl]acetic acid

C16H19NO5 — CID 125133990

IUPAC2-[(2S)-4-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)CCO1
InChIInChI=1S/C16H19NO5/c18-15(19)9-11-10-17(6-8-21-11)16(20)13-5-7-22-14-4-2-1-3-12(13)14/h1-4,11,13H,5-10H2,(H,18,19)/t11-,13+/m0/s1
InChIKeyUDGLTSGXAZTJCK-WCQYABFASA-N
MW305.33 g/mol
LogP1.25
Rot. Bonds3

About 2-[(2S)-4-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 125133990) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[(2S)-4-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]morpholin-2-yl]acetic acid
PubChem CID125133990
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name2-[(2S)-4-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)CCO1
InChIInChI=1S/C16H19NO5/c18-15(19)9-11-10-17(6-8-21-11)16(20)13-5-7-22-14-4-2-1-3-12(13)14/h1-4,11,13H,5-10H2,(H,18,19)/t11-,13+/m0/s1
InChIKeyUDGLTSGXAZTJCK-WCQYABFASA-N
XLogP1.25
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid
CID 124515413
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 81468969
3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124700551
2-[(2R)-4-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]morpholin-2-yl]acetic acid
CID 125119321
[3-(aminomethyl)pyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 55228016
(3R)-1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidine-3-carboxylic acid
CID 81127945
(3S)-1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidine-3-carboxylic acid
CID 81120261
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124556473
3,4-dihydro-2H-chromen-4-yl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746703
2-[(2R)-4-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]morpholin-2-yl]acetic acid
CID 125132391
2-[1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 63709189
3,4-dihydro-2H-chromen-4-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 63709581

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]morpholin-2-yl]acetic acid (CID 125133990) is 2-[(2S)-4-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]morpholin-2-yl]acetic acid is O=C(O)C[C@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)CCO1.
What is the InChIKey of 2-[(2S)-4-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is UDGLTSGXAZTJCK-WCQYABFASA-N. The full InChI is InChI=1S/C16H19NO5/c18-15(19)9-11-10-17(6-8-21-11)16(20)13-5-7-22-14-4-2-1-3-12(13)14/h1-4,11,13H,5-10H2,(H,18,19)/t11-,13+/m0/s1.
What are the key properties of 2-[(2S)-4-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 305.33 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125133990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).