5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid

C14H17NO5 — CID 45304075

IUPAC5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
SMILESCc1ccc(OCC(=O)N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C14H17NO5/c1-10-2-3-12(11(8-10)14(17)18)20-9-13(16)15-4-6-19-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,17,18)
InChIKeyGKPJCVIBPBFNLG-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.93
Rot. Bonds4

About 5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid

5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid (PubChem CID 45304075) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid.

Molecular Properties

Compound Name5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
PubChem CID45304075
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
SMILESCc1ccc(OCC(=O)N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C14H17NO5/c1-10-2-3-12(11(8-10)14(17)18)20-9-13(16)15-4-6-19-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,17,18)
InChIKeyGKPJCVIBPBFNLG-UHFFFAOYSA-N
XLogP0.93
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(azetidin-1-yl)-2-oxoethoxy]-5-methylbenzoic acid
CID 61379862
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-[2-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126384851
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 106956085
3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130
2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone
CID 2202684
3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 4288065
2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 79778699
2-(2-amino-4-bromophenoxy)-1-morpholin-4-ylethanone
CID 65429602
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
The IUPAC name of 5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid (CID 45304075) is 5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid.
What is the SMILES notation for 5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
The canonical SMILES for 5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid is Cc1ccc(OCC(=O)N2CCOCC2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
The InChIKey is GKPJCVIBPBFNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-10-2-3-12(11(8-10)14(17)18)20-9-13(16)15-4-6-19-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,17,18).
What are the key properties of 5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid has a molecular weight of 279.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid is sourced from PubChem (CID 45304075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).