2-[2-[methyl(morpholine-2-carbonyl)amino]ethyl]benzoic acid

C15H20N2O4 — CID 104548311

IUPAC2-[2-[methyl(morpholine-2-carbonyl)amino]ethyl]benzoic acid
SMILESCN(CCc1ccccc1C(=O)O)C(=O)C1CNCCO1
InChIInChI=1S/C15H20N2O4/c1-17(14(18)13-10-16-7-9-21-13)8-6-11-4-2-3-5-12(11)15(19)20/h2-5,13,16H,6-10H2,1H3,(H,19,20)
InChIKeyPRIKGLHWJOWHIB-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.37
Rot. Bonds5

About 2-[2-[methyl(morpholine-2-carbonyl)amino]ethyl]benzoic acid

2-[2-[methyl(morpholine-2-carbonyl)amino]ethyl]benzoic acid (PubChem CID 104548311) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[2-[methyl(morpholine-2-carbonyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[methyl(morpholine-2-carbonyl)amino]ethyl]benzoic acid
PubChem CID104548311
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[2-[methyl(morpholine-2-carbonyl)amino]ethyl]benzoic acid
SMILESCN(CCc1ccccc1C(=O)O)C(=O)C1CNCCO1
InChIInChI=1S/C15H20N2O4/c1-17(14(18)13-10-16-7-9-21-13)8-6-11-4-2-3-5-12(11)15(19)20/h2-5,13,16H,6-10H2,1H3,(H,19,20)
InChIKeyPRIKGLHWJOWHIB-UHFFFAOYSA-N
XLogP0.37
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[methyl-(5-methyloxolane-2-carbonyl)amino]ethyl]benzoic acid
CID 104547047
2-[2-[methyl(oxane-4-carbonyl)amino]ethyl]benzoic acid
CID 104546867
N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119681071
(2S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-2-carboxamide
CID 124685793
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119836475
N-[2-(4-fluorophenoxy)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119695324
N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119682474
(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide
CID 96579373
4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide
CID 161414096
(2-methylphenyl)-morpholin-2-ylmethanone
CID 84673271
(2S)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide
CID 125443618
(2R)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide
CID 125443617

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(morpholine-2-carbonyl)amino]ethyl]benzoic acid?
The IUPAC name of 2-[2-[methyl(morpholine-2-carbonyl)amino]ethyl]benzoic acid (CID 104548311) is 2-[2-[methyl(morpholine-2-carbonyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-[methyl(morpholine-2-carbonyl)amino]ethyl]benzoic acid?
The canonical SMILES for 2-[2-[methyl(morpholine-2-carbonyl)amino]ethyl]benzoic acid is CN(CCc1ccccc1C(=O)O)C(=O)C1CNCCO1.
What is the InChIKey of 2-[2-[methyl(morpholine-2-carbonyl)amino]ethyl]benzoic acid?
The InChIKey is PRIKGLHWJOWHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-17(14(18)13-10-16-7-9-21-13)8-6-11-4-2-3-5-12(11)15(19)20/h2-5,13,16H,6-10H2,1H3,(H,19,20).
What are the key properties of 2-[2-[methyl(morpholine-2-carbonyl)amino]ethyl]benzoic acid?
2-[2-[methyl(morpholine-2-carbonyl)amino]ethyl]benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(morpholine-2-carbonyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 104548311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).