2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid

C13H17NO4 — CID 46785387

IUPAC2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
SMILESCOc1ccc(CN2CCOCC2)cc1C(=O)O
InChIInChI=1S/C13H17NO4/c1-17-12-3-2-10(8-11(12)13(15)16)9-14-4-6-18-7-5-14/h2-3,8H,4-7,9H2,1H3,(H,15,16)
InChIKeyDMBLGHXZHYORRG-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.23
Rot. Bonds4

About 2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid

2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid (PubChem CID 46785387) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
PubChem CID46785387
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
SMILESCOc1ccc(CN2CCOCC2)cc1C(=O)O
InChIInChI=1S/C13H17NO4/c1-17-12-3-2-10(8-11(12)13(15)16)9-14-4-6-18-7-5-14/h2-3,8H,4-7,9H2,1H3,(H,15,16)
InChIKeyDMBLGHXZHYORRG-UHFFFAOYSA-N
XLogP1.23
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate
CID 66876950
2-methoxy-5-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 65339609
methyl 2-methoxy-5-[[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 55921387
N'-hydroxy-2-methoxy-5-(1,4-oxazepan-4-ylmethyl)benzenecarboximidamide
CID 77065748
2-methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]benzoic acid;hydrochloride
CID 171385032
2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol
CID 82979671
(2-methoxyphenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724219
2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride
CID 69296468
4-[(4-fluoro-3-methoxyphenyl)methyl]morpholine
CID 71190630
5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid
CID 65339321
4-[(3-carboxy-4-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxylic acid
CID 56718829
2-methoxy-5-[[(2S)-2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methyl]benzoic acid
CID 99951683

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid?
The IUPAC name of 2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid (CID 46785387) is 2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid.
What is the SMILES notation for 2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid?
The canonical SMILES for 2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid is COc1ccc(CN2CCOCC2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid?
The InChIKey is DMBLGHXZHYORRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-17-12-3-2-10(8-11(12)13(15)16)9-14-4-6-18-7-5-14/h2-3,8H,4-7,9H2,1H3,(H,15,16).
What are the key properties of 2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid?
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid is sourced from PubChem (CID 46785387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).