2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid

C13H15NO6 — CID 107721744

IUPAC2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1C(=O)c1cc(O)ccc1O
InChIInChI=1S/C13H15NO6/c15-9-1-2-11(16)10(6-9)13(19)14-3-4-20-7-8(14)5-12(17)18/h1-2,6,8,15-16H,3-5,7H2,(H,17,18)
InChIKeyMPGZUHWIDHPMFT-UHFFFAOYSA-N
MW281.26 g/mol
LogP0.41
Rot. Bonds3

About 2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid

2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid (PubChem CID 107721744) has the molecular formula C13H15NO6 and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid
PubChem CID107721744
Molecular FormulaC13H15NO6
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1C(=O)c1cc(O)ccc1O
InChIInChI=1S/C13H15NO6/c15-9-1-2-11(16)10(6-9)13(19)14-3-4-20-7-8(14)5-12(17)18/h1-2,6,8,15-16H,3-5,7H2,(H,17,18)
InChIKeyMPGZUHWIDHPMFT-UHFFFAOYSA-N
XLogP0.41
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107013727
2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 56892320
2-[(3S)-4-(2-chloro-4,5-difluorobenzoyl)morpholin-3-yl]acetic acid
CID 124572832
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
2-[4-(3,5-dibromobenzoyl)morpholin-3-yl]acetic acid
CID 107971589
2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid
CID 107981509
2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid
CID 81266026
2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid
CID 95711057
[3-(aminomethyl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107673392
2-[4-(1,3-dimethylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid
CID 102801314
2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid
CID 107721729
2-[(3S)-4-(3-chloro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 124572821

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid (CID 107721744) is 2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid is O=C(O)CC1COCCN1C(=O)c1cc(O)ccc1O.
What is the InChIKey of 2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid?
The InChIKey is MPGZUHWIDHPMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO6/c15-9-1-2-11(16)10(6-9)13(19)14-3-4-20-7-8(14)5-12(17)18/h1-2,6,8,15-16H,3-5,7H2,(H,17,18).
What are the key properties of 2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid?
2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid has a molecular weight of 281.26 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 107721744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).