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

C4H8N2O2 — CID 154029551

IUPAC(5S)-5-amino-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C[C@@H](N)OC1=O
InChIInChI=1S/C4H8N2O2/c1-6-2-3(5)8-4(6)7/h3H,2,5H2,1H3/t3-/m0/s1
InChIKeyWJGYQTVMDVZXCQ-VKHMYHEASA-N
MW116.12 g/mol
LogP-0.65
Rot. Bonds

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

(5S)-5-amino-3-methyl-1,3-oxazolidin-2-one (PubChem CID 154029551) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is (5S)-5-amino-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-amino-3-methyl-1,3-oxazolidin-2-one
PubChem CID154029551
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name(5S)-5-amino-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C[C@@H](N)OC1=O
InChIInChI=1S/C4H8N2O2/c1-6-2-3(5)8-4(6)7/h3H,2,5H2,1H3/t3-/m0/s1
InChIKeyWJGYQTVMDVZXCQ-VKHMYHEASA-N
XLogP-0.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-amino-3-methyl-1,3-oxazolidin-2-one (CID 154029551) is (5S)-5-amino-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-amino-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-amino-3-methyl-1,3-oxazolidin-2-one is CN1C[C@@H](N)OC1=O.
What is the InChIKey of (5S)-5-amino-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is WJGYQTVMDVZXCQ-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8N2O2/c1-6-2-3(5)8-4(6)7/h3H,2,5H2,1H3/t3-/m0/s1.
What are the key properties of (5S)-5-amino-3-methyl-1,3-oxazolidin-2-one?
(5S)-5-amino-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 116.12 g/mol, XLogP of -0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 154029551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).