5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one

C8H12N2O4 — CID 170827810

IUPAC5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one
SMILESNCC(O)C(O)c1c[nH]c(=O)c(O)c1
InChIInChI=1S/C8H12N2O4/c9-2-6(12)7(13)4-1-5(11)8(14)10-3-4/h1,3,6-7,11-13H,2,9H2,(H,10,14)
InChIKeyFHEGPHBDVDQBBB-UHFFFAOYSA-N
MW200.19 g/mol
LogP-1.57
Rot. Bonds3

About 5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one

5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one (PubChem CID 170827810) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one
PubChem CID170827810
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one
SMILESNCC(O)C(O)c1c[nH]c(=O)c(O)c1
InChIInChI=1S/C8H12N2O4/c9-2-6(12)7(13)4-1-5(11)8(14)10-3-4/h1,3,6-7,11-13H,2,9H2,(H,10,14)
InChIKeyFHEGPHBDVDQBBB-UHFFFAOYSA-N
XLogP-1.57
TPSA119.57 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one
CID 171872063
2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanamide
CID 171867927
5-(3-azido-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one
CID 170825785
2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanenitrile
CID 171869993
methyl 2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanoate
CID 171863827
5-(4-amino-1,2-dihydroxybutyl)-3-methyl-1H-pyridin-2-one
CID 171881026
3-amino-5-(3-bromo-1,2-dihydroxypropyl)-1H-pyridin-2-one
CID 171859671
3-hydroxy-5-(1-phenylpropan-2-yl)-1H-pyridin-2-one
CID 71187171
3-chloro-5-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one
CID 130665503
methyl 4-(3-amino-1,2-dihydroxypropyl)-2-hydroxybenzoate
CID 170828633
4-(5-cyano-6-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutanoic acid
CID 171877672
3,4-dihydroxy-4-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanenitrile
CID 171901660

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one (CID 170827810) is 5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one is NCC(O)C(O)c1c[nH]c(=O)c(O)c1.
What is the InChIKey of 5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one?
The InChIKey is FHEGPHBDVDQBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c9-2-6(12)7(13)4-1-5(11)8(14)10-3-4/h1,3,6-7,11-13H,2,9H2,(H,10,14).
What are the key properties of 5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one?
5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one has a molecular weight of 200.19 g/mol, XLogP of -1.57, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 170827810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).