methyl 2-[2-(2,3-dihydroxypropylamino)-3-methoxyphenyl]acetate

C13H19NO5 — CID 168596645

IUPACmethyl 2-[2-(2,3-dihydroxypropylamino)-3-methoxyphenyl]acetate
SMILESCOC(=O)Cc1cccc(OC)c1NCC(O)CO
InChIInChI=1S/C13H19NO5/c1-18-11-5-3-4-9(6-12(17)19-2)13(11)14-7-10(16)8-15/h3-5,10,14-16H,6-8H2,1-2H3
InChIKeyFUJFBADKBDVIJT-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.18
Rot. Bonds7

About methyl 2-[2-(2,3-dihydroxypropylamino)-3-methoxyphenyl]acetate

methyl 2-[2-(2,3-dihydroxypropylamino)-3-methoxyphenyl]acetate (PubChem CID 168596645) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 2-[2-(2,3-dihydroxypropylamino)-3-methoxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2,3-dihydroxypropylamino)-3-methoxyphenyl]acetate
PubChem CID168596645
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Namemethyl 2-[2-(2,3-dihydroxypropylamino)-3-methoxyphenyl]acetate
SMILESCOC(=O)Cc1cccc(OC)c1NCC(O)CO
InChIInChI=1S/C13H19NO5/c1-18-11-5-3-4-9(6-12(17)19-2)13(11)14-7-10(16)8-15/h3-5,10,14-16H,6-8H2,1-2H3
InChIKeyFUJFBADKBDVIJT-UHFFFAOYSA-N
XLogP0.18
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide
CID 66175795
2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid
CID 11064066
(2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol
CID 96915436
dimethyl (E)-2-[2-methoxy-6-(2-methoxy-2-oxoethyl)anilino]but-2-enedioate
CID 168569667
2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide
CID 81420269
1-[4-(2,3-dihydroxypropylamino)-3-methoxyphenyl]ethanone
CID 168597111
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
2-(2-hydroxybutylamino)-3-methoxybenzonitrile
CID 107467370
methyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate
CID 168513456
methyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate
CID 12732376
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
methyl 3-(2,3-dihydroxypropylamino)-2-hydroxybenzoate
CID 168597109

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,3-dihydroxypropylamino)-3-methoxyphenyl]acetate?
The IUPAC name of methyl 2-[2-(2,3-dihydroxypropylamino)-3-methoxyphenyl]acetate (CID 168596645) is methyl 2-[2-(2,3-dihydroxypropylamino)-3-methoxyphenyl]acetate.
What is the SMILES notation for methyl 2-[2-(2,3-dihydroxypropylamino)-3-methoxyphenyl]acetate?
The canonical SMILES for methyl 2-[2-(2,3-dihydroxypropylamino)-3-methoxyphenyl]acetate is COC(=O)Cc1cccc(OC)c1NCC(O)CO.
What is the InChIKey of methyl 2-[2-(2,3-dihydroxypropylamino)-3-methoxyphenyl]acetate?
The InChIKey is FUJFBADKBDVIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-18-11-5-3-4-9(6-12(17)19-2)13(11)14-7-10(16)8-15/h3-5,10,14-16H,6-8H2,1-2H3.
What are the key properties of methyl 2-[2-(2,3-dihydroxypropylamino)-3-methoxyphenyl]acetate?
methyl 2-[2-(2,3-dihydroxypropylamino)-3-methoxyphenyl]acetate has a molecular weight of 269.30 g/mol, XLogP of 0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,3-dihydroxypropylamino)-3-methoxyphenyl]acetate is sourced from PubChem (CID 168596645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).