methyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate

C10H13NO4 — CID 117301162

IUPACmethyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate
SMILESCOC(=O)c1cc(CCN)c(O)cc1O
InChIInChI=1S/C10H13NO4/c1-15-10(14)7-4-6(2-3-11)8(12)5-9(7)13/h4-5,12-13H,2-3,11H2,1H3
InChIKeyDWYFKVOWQNYDOF-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.39
Rot. Bonds3

About methyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate

methyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate (PubChem CID 117301162) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate
PubChem CID117301162
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Namemethyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate
SMILESCOC(=O)c1cc(CCN)c(O)cc1O
InChIInChI=1S/C10H13NO4/c1-15-10(14)7-4-6(2-3-11)8(12)5-9(7)13/h4-5,12-13H,2-3,11H2,1H3
InChIKeyDWYFKVOWQNYDOF-UHFFFAOYSA-N
XLogP0.39
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethyl)-2,4-dihydroxybenzoic acid
CID 117286645
methyl 5-[(E)-3-aminoprop-1-enyl]-2,4-dihydroxybenzoate
CID 117319282
methyl 5-(aminomethyl)-4-cyano-2-hydroxybenzoate
CID 131470636
methyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate
CID 117325036
methyl 2-(2-aminoethyl)-5-bromobenzoate
CID 44828922
methyl 2-(2-aminoethyl)-5-iodobenzoate
CID 44828945
5-(2-aminoethyl)benzene-1,2,4-triol chloride
CID 23615875
methyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate
CID 117417249
methyl 4-chloro-5-fluoro-2-hydroxybenzoate
CID 131313356
methyl 4-bromo-5-fluoro-2-hydroxybenzoate
CID 66887268
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
methyl 2,4-dihydroxy-5-(piperidin-3-ylmethyl)benzoate
CID 117417244

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate?
The IUPAC name of methyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate (CID 117301162) is methyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate.
What is the SMILES notation for methyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate?
The canonical SMILES for methyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate is COC(=O)c1cc(CCN)c(O)cc1O.
What is the InChIKey of methyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate?
The InChIKey is DWYFKVOWQNYDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-15-10(14)7-4-6(2-3-11)8(12)5-9(7)13/h4-5,12-13H,2-3,11H2,1H3.
What are the key properties of methyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate?
methyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate has a molecular weight of 211.22 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate is sourced from PubChem (CID 117301162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).