methyl 2-(2,3-dihydroxypropylamino)benzoate

C11H15NO4 — CID 3043148

IUPACmethyl 2-(2,3-dihydroxypropylamino)benzoate
SMILESCOC(=O)c1ccccc1NCC(O)CO
InChIInChI=1S/C11H15NO4/c1-16-11(15)9-4-2-3-5-10(9)12-6-8(14)7-13/h2-5,8,12-14H,6-7H2,1H3
InChIKeyUGPXFZFNFZYGOU-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.24
Rot. Bonds5

About methyl 2-(2,3-dihydroxypropylamino)benzoate

methyl 2-(2,3-dihydroxypropylamino)benzoate (PubChem CID 3043148) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl 2-(2,3-dihydroxypropylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydroxypropylamino)benzoate
PubChem CID3043148
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl 2-(2,3-dihydroxypropylamino)benzoate
SMILESCOC(=O)c1ccccc1NCC(O)CO
InChIInChI=1S/C11H15NO4/c1-16-11(15)9-4-2-3-5-10(9)12-6-8(14)7-13/h2-5,8,12-14H,6-7H2,1H3
InChIKeyUGPXFZFNFZYGOU-UHFFFAOYSA-N
XLogP0.24
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydroxypropylamino)benzoate?
The IUPAC name of methyl 2-(2,3-dihydroxypropylamino)benzoate (CID 3043148) is methyl 2-(2,3-dihydroxypropylamino)benzoate.
What is the SMILES notation for methyl 2-(2,3-dihydroxypropylamino)benzoate?
The canonical SMILES for methyl 2-(2,3-dihydroxypropylamino)benzoate is COC(=O)c1ccccc1NCC(O)CO.
What is the InChIKey of methyl 2-(2,3-dihydroxypropylamino)benzoate?
The InChIKey is UGPXFZFNFZYGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-16-11(15)9-4-2-3-5-10(9)12-6-8(14)7-13/h2-5,8,12-14H,6-7H2,1H3.
What are the key properties of methyl 2-(2,3-dihydroxypropylamino)benzoate?
methyl 2-(2,3-dihydroxypropylamino)benzoate has a molecular weight of 225.24 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydroxypropylamino)benzoate is sourced from PubChem (CID 3043148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).