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

C13H15NO6 — CID 107721729

IUPAC2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cc(O)ccc2O)CCO1
InChIInChI=1S/C13H15NO6/c15-8-1-2-11(16)10(5-8)13(19)14-3-4-20-9(7-14)6-12(17)18/h1-2,5,9,15-16H,3-4,6-7H2,(H,17,18)
InChIKeyDFQDHMZPFANWIR-UHFFFAOYSA-N
MW281.26 g/mol
LogP0.41
Rot. Bonds3

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

2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid (PubChem CID 107721729) has the molecular formula C13H15NO6 and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid
PubChem CID107721729
Molecular FormulaC13H15NO6
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cc(O)ccc2O)CCO1
InChIInChI=1S/C13H15NO6/c15-8-1-2-11(16)10(5-8)13(19)14-3-4-20-9(7-14)6-12(17)18/h1-2,5,9,15-16H,3-4,6-7H2,(H,17,18)
InChIKeyDFQDHMZPFANWIR-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-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 106503111
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[4-(5-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66420781
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384
2-[4-(3-hydroxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421765
2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid
CID 66420368
methyl 2-[4-(4-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534950
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 125134078
(2,5-dihydroxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 107722952
2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702643
methyl 2-[4-(3-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534948

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid (CID 107721729) is 2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)c2cc(O)ccc2O)CCO1.
What is the InChIKey of 2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid?
The InChIKey is DFQDHMZPFANWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO6/c15-8-1-2-11(16)10(5-8)13(19)14-3-4-20-9(7-14)6-12(17)18/h1-2,5,9,15-16H,3-4,6-7H2,(H,17,18).
What are the key properties of 2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid?
2-[4-(2,5-dihydroxybenzoyl)morpholin-2-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-2-yl]acetic acid is sourced from PubChem (CID 107721729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).