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

C16H19NO5 — CID 125132391

IUPAC2-[(2R)-4-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)CCO1
InChIInChI=1S/C16H19NO5/c18-15(19)8-13-9-17(5-6-21-13)16(20)12-7-11-3-1-2-4-14(11)22-10-12/h1-4,12-13H,5-10H2,(H,18,19)/t12-,13+/m0/s1
InChIKeyCVGNMCJWHJNFNU-QWHCGFSZSA-N
MW305.33 g/mol
LogP0.94
Rot. Bonds3

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

2-[(2R)-4-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 125132391) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[(2R)-4-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]morpholin-2-yl]acetic acid
PubChem CID125132391
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name2-[(2R)-4-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)CCO1
InChIInChI=1S/C16H19NO5/c18-15(19)8-13-9-17(5-6-21-13)16(20)12-7-11-3-1-2-4-14(11)22-10-12/h1-4,12-13H,5-10H2,(H,18,19)/t12-,13+/m0/s1
InChIKeyCVGNMCJWHJNFNU-QWHCGFSZSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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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)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
2-[(2S)-4-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]morpholin-2-yl]acetic acid
CID 125133990
(3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid
CID 81126614
[2-(aminomethyl)morpholin-4-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892186
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 97059556
(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 51925423
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900916
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid
CID 66435355
2-[(2R)-4-[(1S)-3,4-dihydro-1H-isothiochromene-1-carbonyl]morpholin-2-yl]acetic acid
CID 125153005
2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 125133832

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]morpholin-2-yl]acetic acid (CID 125132391) is 2-[(2R)-4-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]morpholin-2-yl]acetic acid is O=C(O)C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)CCO1.
What is the InChIKey of 2-[(2R)-4-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is CVGNMCJWHJNFNU-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H19NO5/c18-15(19)8-13-9-17(5-6-21-13)16(20)12-7-11-3-1-2-4-14(11)22-10-12/h1-4,12-13H,5-10H2,(H,18,19)/t12-,13+/m0/s1.
What are the key properties of 2-[(2R)-4-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 305.33 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125132391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).