(4S)-4-methyl-3-propanoyl-1,3-oxazolidin-2-one

C7H11NO3 — CID 11480579

IUPAC(4S)-4-methyl-3-propanoyl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OC[C@@H]1C
InChIInChI=1S/C7H11NO3/c1-3-6(9)8-5(2)4-11-7(8)10/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyLGEDTAWPPKYADR-YFKPBYRVSA-N
MW157.17 g/mol
LogP0.76
Rot. Bonds1

About (4S)-4-methyl-3-propanoyl-1,3-oxazolidin-2-one

(4S)-4-methyl-3-propanoyl-1,3-oxazolidin-2-one (PubChem CID 11480579) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (4S)-4-methyl-3-propanoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-methyl-3-propanoyl-1,3-oxazolidin-2-one
PubChem CID11480579
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(4S)-4-methyl-3-propanoyl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OC[C@@H]1C
InChIInChI=1S/C7H11NO3/c1-3-6(9)8-5(2)4-11-7(8)10/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyLGEDTAWPPKYADR-YFKPBYRVSA-N
XLogP0.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-3-propanoyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-methyl-3-propanoyl-1,3-oxazolidin-2-one (CID 11480579) is (4S)-4-methyl-3-propanoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-methyl-3-propanoyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-methyl-3-propanoyl-1,3-oxazolidin-2-one is CCC(=O)N1C(=O)OC[C@@H]1C.
What is the InChIKey of (4S)-4-methyl-3-propanoyl-1,3-oxazolidin-2-one?
The InChIKey is LGEDTAWPPKYADR-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-6(9)8-5(2)4-11-7(8)10/h5H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (4S)-4-methyl-3-propanoyl-1,3-oxazolidin-2-one?
(4S)-4-methyl-3-propanoyl-1,3-oxazolidin-2-one has a molecular weight of 157.17 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-3-propanoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11480579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).