5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide

C11H16N2O4 — CID 171858406

IUPAC5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide
SMILESCNCC(O)C(O)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C11H16N2O4/c1-13-5-9(15)10(16)6-2-3-8(14)7(4-6)11(12)17/h2-4,9-10,13-16H,5H2,1H3,(H2,12,17)
InChIKeyNTHFBSUTCLUDPA-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.90
Rot. Bonds5

About 5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide

5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide (PubChem CID 171858406) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide
PubChem CID171858406
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide
SMILESCNCC(O)C(O)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C11H16N2O4/c1-13-5-9(15)10(16)6-2-3-8(14)7(4-6)11(12)17/h2-4,9-10,13-16H,5H2,1H3,(H2,12,17)
InChIKeyNTHFBSUTCLUDPA-UHFFFAOYSA-N
XLogP-0.90
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-bromo-1,2-dihydroxypropyl)-2-hydroxybenzamide
CID 171860447
1-[4-hydroxy-3-(hydroxymethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171857811
1-[5-[1,2-dihydroxy-4-(methylamino)butyl]-2-hydroxyphenyl]ethanone
CID 171890501
ethyl 3-(3-carbamoyl-4-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171866564
5-[(1R)-1-aminoethyl]-2-hydroxybenzamide
CID 55255475
1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
CID 171857462
[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea
CID 171858335
methyl 2-hydroxy-5-(1,2,3-trihydroxypropyl)benzoate
CID 170818438
1-[5-(1,2-dihydroxy-3-sulfanylpropyl)-2-hydroxyphenyl]ethanone
CID 170820160
methyl 5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)-2-hydroxybenzoate
CID 171896189
5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 70142955
1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol
CID 171857917

Frequently Asked Questions

What is the IUPAC name of 5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide?
The IUPAC name of 5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide (CID 171858406) is 5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide?
The canonical SMILES for 5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide is CNCC(O)C(O)c1ccc(O)c(C(N)=O)c1.
What is the InChIKey of 5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide?
The InChIKey is NTHFBSUTCLUDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-13-5-9(15)10(16)6-2-3-8(14)7(4-6)11(12)17/h2-4,9-10,13-16H,5H2,1H3,(H2,12,17).
What are the key properties of 5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide?
5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide has a molecular weight of 240.26 g/mol, XLogP of -0.90, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide is sourced from PubChem (CID 171858406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).