2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid

C13H16N2O5 — CID 104833442

IUPAC2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
SMILESCC1CN(C(=O)Nc2cccc(C(=O)O)c2O)CCO1
InChIInChI=1S/C13H16N2O5/c1-8-7-15(5-6-20-8)13(19)14-10-4-2-3-9(11(10)16)12(17)18/h2-4,8,16H,5-7H2,1H3,(H,14,19)(H,17,18)
InChIKeyXNECEWFFFAFPJW-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.34
Rot. Bonds2

About 2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid

2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid (PubChem CID 104833442) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
PubChem CID104833442
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
SMILESCC1CN(C(=O)Nc2cccc(C(=O)O)c2O)CCO1
InChIInChI=1S/C13H16N2O5/c1-8-7-15(5-6-20-8)13(19)14-10-4-2-3-9(11(10)16)12(17)18/h2-4,8,16H,5-7H2,1H3,(H,14,19)(H,17,18)
InChIKeyXNECEWFFFAFPJW-UHFFFAOYSA-N
XLogP1.34
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-(1,4-oxazepane-4-carbonylamino)benzoic acid
CID 104833689
(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide
CID 94154647
(2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 42928657
3-[(3-aminopiperidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 104833568
2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61203216
2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 63113580
2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102963077
2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 61398640
2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid
CID 113458398
3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 104833695
3,5-dichloro-2-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 61188726
(2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 94176614

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid (CID 104833442) is 2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid is CC1CN(C(=O)Nc2cccc(C(=O)O)c2O)CCO1.
What is the InChIKey of 2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid?
The InChIKey is XNECEWFFFAFPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-8-7-15(5-6-20-8)13(19)14-10-4-2-3-9(11(10)16)12(17)18/h2-4,8,16H,5-7H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid?
2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid has a molecular weight of 280.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 104833442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).