2-(2,3-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetic acid

C13H19NO5 — CID 84747107

IUPAC2-(2,3-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetic acid
SMILESCOc1cccc(C(NCCCO)C(=O)O)c1OC
InChIInChI=1S/C13H19NO5/c1-18-10-6-3-5-9(12(10)19-2)11(13(16)17)14-7-4-8-15/h3,5-6,11,14-15H,4,7-8H2,1-2H3,(H,16,17)
InChIKeyZUUMZXMLZYZDRL-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.80
Rot. Bonds8

About 2-(2,3-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetic acid

2-(2,3-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetic acid (PubChem CID 84747107) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetic acid.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetic acid
PubChem CID84747107
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name2-(2,3-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetic acid
SMILESCOc1cccc(C(NCCCO)C(=O)O)c1OC
InChIInChI=1S/C13H19NO5/c1-18-10-6-3-5-9(12(10)19-2)11(13(16)17)14-7-4-8-15/h3,5-6,11,14-15H,4,7-8H2,1-2H3,(H,16,17)
InChIKeyZUUMZXMLZYZDRL-UHFFFAOYSA-N
XLogP0.80
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,3-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetic 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

2-(2-methoxyphenyl)-2-(3-methoxypropylamino)acetic acid
CID 84745991
ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate
CID 54918350
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid
CID 83224228
2-(2-methylpropylamino)-2-(2,3,4-trimethoxyphenyl)acetic acid
CID 61001806
methyl 2-(2,3-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 60997634
2-(2-methoxyphenyl)-2-(prop-2-ynylamino)acetic acid
CID 62353700
2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 63704808
4-amino-3-(2,3-dimethoxyphenyl)pentanoic acid
CID 66096873
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
(3R)-3-acetamido-3-(2,3-dimethoxyphenyl)propanoic acid
CID 78947532
methyl (3R)-3-amino-3-(2,3-dimethoxyphenyl)propanoate
CID 7175981

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetic acid?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetic acid (CID 84747107) is 2-(2,3-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetic acid.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetic acid?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetic acid is COc1cccc(C(NCCCO)C(=O)O)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetic acid?
The InChIKey is ZUUMZXMLZYZDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-18-10-6-3-5-9(12(10)19-2)11(13(16)17)14-7-4-8-15/h3,5-6,11,14-15H,4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(2,3-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetic acid?
2-(2,3-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetic acid has a molecular weight of 269.30 g/mol, XLogP of 0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetic acid is sourced from PubChem (CID 84747107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).