(4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-one

C6H11NO3 — CID 146383164

IUPAC(4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-one
SMILESCC1(C)N[C@@H](CO)C(=O)O1
InChIInChI=1S/C6H11NO3/c1-6(2)7-4(3-8)5(9)10-6/h4,7-8H,3H2,1-2H3/t4-/m0/s1
InChIKeyGFBZJKYHKHGHMI-BYPYZUCNSA-N
MW145.16 g/mol
LogP-0.77
Rot. Bonds1

About (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-one

(4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-one (PubChem CID 146383164) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-one
PubChem CID146383164
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-one
SMILESCC1(C)N[C@@H](CO)C(=O)O1
InChIInChI=1S/C6H11NO3/c1-6(2)7-4(3-8)5(9)10-6/h4,7-8H,3H2,1-2H3/t4-/m0/s1
InChIKeyGFBZJKYHKHGHMI-BYPYZUCNSA-N
XLogP-0.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-one?
The IUPAC name of (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-one (CID 146383164) is (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-one.
What is the SMILES notation for (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-one?
The canonical SMILES for (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-one is CC1(C)N[C@@H](CO)C(=O)O1.
What is the InChIKey of (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-one?
The InChIKey is GFBZJKYHKHGHMI-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(2)7-4(3-8)5(9)10-6/h4,7-8H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-one?
(4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-one has a molecular weight of 145.16 g/mol, XLogP of -0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 146383164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).