2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid

C13H16N2O5 — CID 79778699

IUPAC2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
SMILESNc1c(OCC(=O)N2CCOCC2)cccc1C(=O)O
InChIInChI=1S/C13H16N2O5/c14-12-9(13(17)18)2-1-3-10(12)20-8-11(16)15-4-6-19-7-5-15/h1-3H,4-8,14H2,(H,17,18)
InChIKeyCDRRHGWRJDJDHF-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.20
Rot. Bonds4

About 2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid

2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid (PubChem CID 79778699) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
PubChem CID79778699
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
SMILESNc1c(OCC(=O)N2CCOCC2)cccc1C(=O)O
InChIInChI=1S/C13H16N2O5/c14-12-9(13(17)18)2-1-3-10(12)20-8-11(16)15-4-6-19-7-5-15/h1-3H,4-8,14H2,(H,17,18)
InChIKeyCDRRHGWRJDJDHF-UHFFFAOYSA-N
XLogP0.20
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone
CID 43609224
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 78975266
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
(2-morpholin-4-yl-2-oxoethyl) 2-phenylmethoxybenzoate
CID 2365991
3-(2-morpholin-4-yl-2-oxoethoxy)pyridine-2-carboxylic acid
CID 61380057
5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 45304075
5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 106956085
4-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 106955473
2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 114764422
2-(2-amino-3-hydroxyphenoxy)-1-(azepan-1-yl)ethanone
CID 114764292

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
The IUPAC name of 2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid (CID 79778699) is 2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid.
What is the SMILES notation for 2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
The canonical SMILES for 2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid is Nc1c(OCC(=O)N2CCOCC2)cccc1C(=O)O.
What is the InChIKey of 2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
The InChIKey is CDRRHGWRJDJDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c14-12-9(13(17)18)2-1-3-10(12)20-8-11(16)15-4-6-19-7-5-15/h1-3H,4-8,14H2,(H,17,18).
What are the key properties of 2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid has a molecular weight of 280.28 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid is sourced from PubChem (CID 79778699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).