2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid

C17H19NO6 — CID 119247509

IUPAC2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid
SMILESCOc1cccc2c1OCC(C(=O)N1CCOC(CC(=O)O)C1)=C2
InChIInChI=1S/C17H19NO6/c1-22-14-4-2-3-11-7-12(10-24-16(11)14)17(21)18-5-6-23-13(9-18)8-15(19)20/h2-4,7,13H,5-6,8-10H2,1H3,(H,19,20)
InChIKeyYRRPZORQQFJNDG-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.17
Rot. Bonds4

About 2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid

2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 119247509) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid
PubChem CID119247509
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid
SMILESCOc1cccc2c1OCC(C(=O)N1CCOC(CC(=O)O)C1)=C2
InChIInChI=1S/C17H19NO6/c1-22-14-4-2-3-11-7-12(10-24-16(11)14)17(21)18-5-6-23-13(9-18)8-15(19)20/h2-4,7,13H,5-6,8-10H2,1H3,(H,19,20)
InChIKeyYRRPZORQQFJNDG-UHFFFAOYSA-N
XLogP1.17
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid
CID 66435743
(8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971286
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
CID 120658309
2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid
CID 125132179
(2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365618
2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 75374480
2-[(2S)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 129465784
8-methoxy-2H-chromene-3-carboxylate
CID 6933959
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid
CID 119249045
2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 126789660

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid (CID 119247509) is 2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid is COc1cccc2c1OCC(C(=O)N1CCOC(CC(=O)O)C1)=C2.
What is the InChIKey of 2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is YRRPZORQQFJNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-22-14-4-2-3-11-7-12(10-24-16(11)14)17(21)18-5-6-23-13(9-18)8-15(19)20/h2-4,7,13H,5-6,8-10H2,1H3,(H,19,20).
What are the key properties of 2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 333.34 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 119247509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).