(2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid

C16H19NO5 — CID 125153787

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

About (2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid

(2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid (PubChem CID 125153787) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is (2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid
PubChem CID125153787
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name(2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)C[C@@H]2CCOc3ccccc32)CCO1
InChIInChI=1S/C16H19NO5/c18-15(17-6-8-22-14(10-17)16(19)20)9-11-5-7-21-13-4-2-1-3-12(11)13/h1-4,11,14H,5-10H2,(H,19,20)/t11-,14+/m0/s1
InChIKeyWQPCANWZHGRLHF-SMDDNHRTSA-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-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111425138
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110680477
4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119239623
(3R)-1-[2-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695266
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone;hydrochloride
CID 120746728
(3S)-1-[2-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695179
(2S)-4-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]morpholine-2-carboxylic acid
CID 125150012
2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone
CID 100837733
2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 136530827
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone
CID 97317308
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone
CID 97317309
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid (CID 125153787) is (2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)C[C@@H]2CCOc3ccccc32)CCO1.
What is the InChIKey of (2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid?
The InChIKey is WQPCANWZHGRLHF-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H19NO5/c18-15(17-6-8-22-14(10-17)16(19)20)9-11-5-7-21-13-4-2-1-3-12(11)13/h1-4,11,14H,5-10H2,(H,19,20)/t11-,14+/m0/s1.
What are the key properties of (2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid?
(2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic 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 (2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125153787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).