4-(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)morpholine-2-carboxylic acid

C17H21NO6 — CID 119239598

IUPAC4-(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)morpholine-2-carboxylic acid
SMILESCCOc1ccc2c(c1)CC(C(=O)N1CCOC(C(=O)O)C1)CO2
InChIInChI=1S/C17H21NO6/c1-2-22-13-3-4-14-11(8-13)7-12(10-24-14)16(19)18-5-6-23-15(9-18)17(20)21/h3-4,8,12,15H,2,5-7,9-10H2,1H3,(H,20,21)
InChIKeyOALRRHZVNVEUJY-UHFFFAOYSA-N
MW335.36 g/mol
LogP0.95
Rot. Bonds4

About 4-(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)morpholine-2-carboxylic acid

4-(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)morpholine-2-carboxylic acid (PubChem CID 119239598) has the molecular formula C17H21NO6 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)morpholine-2-carboxylic acid
PubChem CID119239598
Molecular FormulaC17H21NO6
Molecular Weight335.36 g/mol
Exact Mass335.14
IUPAC Name4-(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)morpholine-2-carboxylic acid
SMILESCCOc1ccc2c(c1)CC(C(=O)N1CCOC(C(=O)O)C1)CO2
InChIInChI=1S/C17H21NO6/c1-2-22-13-3-4-14-11(8-13)7-12(10-24-14)16(19)18-5-6-23-15(9-18)17(20)21/h3-4,8,12,15H,2,5-7,9-10H2,1H3,(H,20,21)
InChIKeyOALRRHZVNVEUJY-UHFFFAOYSA-N
XLogP0.95
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971149
(6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996999
2-[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]acetic acid
CID 119172257
(6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 86935750
ethyl (3R)-1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidine-3-carboxylate
CID 51926919
(3-methylphenyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86896181
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397224
2-[(2R)-4-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]morpholin-2-yl]acetic acid
CID 125132391
(4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride
CID 119375217
(6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734578
N-(2-aminoethyl)-1-(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxamide
CID 119481076

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)morpholine-2-carboxylic acid (CID 119239598) is 4-(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)morpholine-2-carboxylic acid is CCOc1ccc2c(c1)CC(C(=O)N1CCOC(C(=O)O)C1)CO2.
What is the InChIKey of 4-(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is OALRRHZVNVEUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6/c1-2-22-13-3-4-14-11(8-13)7-12(10-24-14)16(19)18-5-6-23-15(9-18)17(20)21/h3-4,8,12,15H,2,5-7,9-10H2,1H3,(H,20,21).
What are the key properties of 4-(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)morpholine-2-carboxylic acid?
4-(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119239598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).