5-[1,2-dihydroxy-3-(methylamino)propyl]-3-hydroxy-1H-pyridin-2-one

C9H14N2O4 — CID 171857718

IUPAC5-[1,2-dihydroxy-3-(methylamino)propyl]-3-hydroxy-1H-pyridin-2-one
SMILESCNCC(O)C(O)c1c[nH]c(=O)c(O)c1
InChIInChI=1S/C9H14N2O4/c1-10-4-7(13)8(14)5-2-6(12)9(15)11-3-5/h2-3,7-8,10,12-14H,4H2,1H3,(H,11,15)
InChIKeyRXCYZRJLOKWTLL-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.31
Rot. Bonds4

About 5-[1,2-dihydroxy-3-(methylamino)propyl]-3-hydroxy-1H-pyridin-2-one

5-[1,2-dihydroxy-3-(methylamino)propyl]-3-hydroxy-1H-pyridin-2-one (PubChem CID 171857718) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-[1,2-dihydroxy-3-(methylamino)propyl]-3-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[1,2-dihydroxy-3-(methylamino)propyl]-3-hydroxy-1H-pyridin-2-one
PubChem CID171857718
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name5-[1,2-dihydroxy-3-(methylamino)propyl]-3-hydroxy-1H-pyridin-2-one
SMILESCNCC(O)C(O)c1c[nH]c(=O)c(O)c1
InChIInChI=1S/C9H14N2O4/c1-10-4-7(13)8(14)5-2-6(12)9(15)11-3-5/h2-3,7-8,10,12-14H,4H2,1H3,(H,11,15)
InChIKeyRXCYZRJLOKWTLL-UHFFFAOYSA-N
XLogP-1.31
TPSA105.58 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1,2-dihydroxy-3-(methylamino)propyl]-3-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-[1,2-dihydroxy-3-(methylamino)propyl]-3-hydroxy-1H-pyridin-2-one (CID 171857718) is 5-[1,2-dihydroxy-3-(methylamino)propyl]-3-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-[1,2-dihydroxy-3-(methylamino)propyl]-3-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-[1,2-dihydroxy-3-(methylamino)propyl]-3-hydroxy-1H-pyridin-2-one is CNCC(O)C(O)c1c[nH]c(=O)c(O)c1.
What is the InChIKey of 5-[1,2-dihydroxy-3-(methylamino)propyl]-3-hydroxy-1H-pyridin-2-one?
The InChIKey is RXCYZRJLOKWTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-10-4-7(13)8(14)5-2-6(12)9(15)11-3-5/h2-3,7-8,10,12-14H,4H2,1H3,(H,11,15).
What are the key properties of 5-[1,2-dihydroxy-3-(methylamino)propyl]-3-hydroxy-1H-pyridin-2-one?
5-[1,2-dihydroxy-3-(methylamino)propyl]-3-hydroxy-1H-pyridin-2-one has a molecular weight of 214.22 g/mol, XLogP of -1.31, 4 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]-3-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 171857718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).