4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid

C14H19NO5 — CID 65067016

IUPAC4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid
SMILESCOc1cccc(CN2CCOC(C(=O)O)C2)c1OC
InChIInChI=1S/C14H19NO5/c1-18-11-5-3-4-10(13(11)19-2)8-15-6-7-20-12(9-15)14(16)17/h3-5,12H,6-9H2,1-2H3,(H,16,17)
InChIKeyTZDPQDPZUTVUCY-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.99
Rot. Bonds5

About 4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid

4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid (PubChem CID 65067016) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid
PubChem CID65067016
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid
SMILESCOc1cccc(CN2CCOC(C(=O)O)C2)c1OC
InChIInChI=1S/C14H19NO5/c1-18-11-5-3-4-10(13(11)19-2)8-15-6-7-20-12(9-15)14(16)17/h3-5,12H,6-9H2,1-2H3,(H,16,17)
InChIKeyTZDPQDPZUTVUCY-UHFFFAOYSA-N
XLogP0.99
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic 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

N-[[(2R)-4-[(2,3-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]acetamide
CID 124614604
(2R)-4-[(1-ethylindol-4-yl)methyl]morpholine-2-carboxylic acid
CID 125435479
4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid
CID 63985912
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 17366969
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]morpholine-2-carboxylic acid
CID 65067171
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
CID 29185207
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 128996806
(2S)-4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholine-2-carboxylic acid
CID 125150978
[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 2903445

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid (CID 65067016) is 4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid is COc1cccc(CN2CCOC(C(=O)O)C2)c1OC.
What is the InChIKey of 4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid?
The InChIKey is TZDPQDPZUTVUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-18-11-5-3-4-10(13(11)19-2)8-15-6-7-20-12(9-15)14(16)17/h3-5,12H,6-9H2,1-2H3,(H,16,17).
What are the key properties of 4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid?
4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 65067016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).