(5S)-3-amino-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C4H8N2O3 — CID 143282814

IUPAC(5S)-3-amino-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESNN1C[C@@H](CO)OC1=O
InChIInChI=1S/C4H8N2O3/c5-6-1-3(2-7)9-4(6)8/h3,7H,1-2,5H2/t3-/m0/s1
InChIKeyDFKKPMYTKLESOV-VKHMYHEASA-N
MW132.12 g/mol
LogP-1.33
Rot. Bonds1

About (5S)-3-amino-5-(hydroxymethyl)-1,3-oxazolidin-2-one

(5S)-3-amino-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 143282814) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is (5S)-3-amino-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-amino-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID143282814
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name(5S)-3-amino-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESNN1C[C@@H](CO)OC1=O
InChIInChI=1S/C4H8N2O3/c5-6-1-3(2-7)9-4(6)8/h3,7H,1-2,5H2/t3-/m0/s1
InChIKeyDFKKPMYTKLESOV-VKHMYHEASA-N
XLogP-1.33
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

5-(hydroxymethyl)-3-sulfanyl-1,3-oxazolidin-2-one
CID 143157988
(5R)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one;(5S)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one
CID 56682933
(5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 2793991
3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 90189648
(5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 115056583
(5S)-3-amino-5-[[hydroxy-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]methoxy]methyl]-1,3-oxazolidin-2-one
CID 143282776
5-(hydroxymethyl)-3-(2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 19773689
(5R)-5-(hydroxymethyl)-3-pyridin-4-yl-1,3-oxazolidin-2-one
CID 115056906
(5R)-5-(hydroxymethyl)-3-(thian-4-ylmethyl)-1,3-oxazolidin-2-one
CID 115056623
4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid
CID 117063705
5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 22014481
3-amino-5-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 171822806

Frequently Asked Questions

What is the IUPAC name of (5S)-3-amino-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-amino-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 143282814) is (5S)-3-amino-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-amino-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-amino-5-(hydroxymethyl)-1,3-oxazolidin-2-one is NN1C[C@@H](CO)OC1=O.
What is the InChIKey of (5S)-3-amino-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is DFKKPMYTKLESOV-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8N2O3/c5-6-1-3(2-7)9-4(6)8/h3,7H,1-2,5H2/t3-/m0/s1.
What are the key properties of (5S)-3-amino-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
(5S)-3-amino-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 132.12 g/mol, XLogP of -1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-amino-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 143282814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).