(4S,5R)-4-amino-5-methyl-1,2-oxazolidin-3-one

C4H8N2O2 — CID 55281771

IUPAC(4S,5R)-4-amino-5-methyl-1,2-oxazolidin-3-one
SMILESC[C@H]1ONC(=O)[C@H]1N
InChIInChI=1S/C4H8N2O2/c1-2-3(5)4(7)6-8-2/h2-3H,5H2,1H3,(H,6,7)/t2-,3+/m1/s1
InChIKeyXGLVMBYXUCUGCI-GBXIJSLDSA-N
MW116.12 g/mol
LogP-1.24
Rot. Bonds

About (4S,5R)-4-amino-5-methyl-1,2-oxazolidin-3-one

(4S,5R)-4-amino-5-methyl-1,2-oxazolidin-3-one (PubChem CID 55281771) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is (4S,5R)-4-amino-5-methyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name(4S,5R)-4-amino-5-methyl-1,2-oxazolidin-3-one
PubChem CID55281771
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name(4S,5R)-4-amino-5-methyl-1,2-oxazolidin-3-one
SMILESC[C@H]1ONC(=O)[C@H]1N
InChIInChI=1S/C4H8N2O2/c1-2-3(5)4(7)6-8-2/h2-3H,5H2,1H3,(H,6,7)/t2-,3+/m1/s1
InChIKeyXGLVMBYXUCUGCI-GBXIJSLDSA-N
XLogP-1.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-amino-5-methyl-1,2-oxazolidin-3-one?
The IUPAC name of (4S,5R)-4-amino-5-methyl-1,2-oxazolidin-3-one (CID 55281771) is (4S,5R)-4-amino-5-methyl-1,2-oxazolidin-3-one.
What is the SMILES notation for (4S,5R)-4-amino-5-methyl-1,2-oxazolidin-3-one?
The canonical SMILES for (4S,5R)-4-amino-5-methyl-1,2-oxazolidin-3-one is C[C@H]1ONC(=O)[C@H]1N.
What is the InChIKey of (4S,5R)-4-amino-5-methyl-1,2-oxazolidin-3-one?
The InChIKey is XGLVMBYXUCUGCI-GBXIJSLDSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-2-3(5)4(7)6-8-2/h2-3H,5H2,1H3,(H,6,7)/t2-,3+/m1/s1.
What are the key properties of (4S,5R)-4-amino-5-methyl-1,2-oxazolidin-3-one?
(4S,5R)-4-amino-5-methyl-1,2-oxazolidin-3-one has a molecular weight of 116.12 g/mol, XLogP of -1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-amino-5-methyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 55281771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).