(4S)-4-ethyl-3-[(2S,3R)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one

C11H19NO4 — CID 58618771

IUPAC(4S)-4-ethyl-3-[(2S,3R)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1C(=O)[C@@H](C)[C@H](O)CC
InChIInChI=1S/C11H19NO4/c1-4-8-6-16-11(15)12(8)10(14)7(3)9(13)5-2/h7-9,13H,4-6H2,1-3H3/t7-,8-,9+/m0/s1
InChIKeyJNMRKPQWQSOFCT-XHNCKOQMSA-N
MW229.28 g/mol
LogP1.15
Rot. Bonds4

About (4S)-4-ethyl-3-[(2S,3R)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one

(4S)-4-ethyl-3-[(2S,3R)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one (PubChem CID 58618771) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (4S)-4-ethyl-3-[(2S,3R)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-ethyl-3-[(2S,3R)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one
PubChem CID58618771
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(4S)-4-ethyl-3-[(2S,3R)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1C(=O)[C@@H](C)[C@H](O)CC
InChIInChI=1S/C11H19NO4/c1-4-8-6-16-11(15)12(8)10(14)7(3)9(13)5-2/h7-9,13H,4-6H2,1-3H3/t7-,8-,9+/m0/s1
InChIKeyJNMRKPQWQSOFCT-XHNCKOQMSA-N
XLogP1.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-3-[(2S,3R)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-ethyl-3-[(2S,3R)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one (CID 58618771) is (4S)-4-ethyl-3-[(2S,3R)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-ethyl-3-[(2S,3R)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-ethyl-3-[(2S,3R)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one is CC[C@H]1COC(=O)N1C(=O)[C@@H](C)[C@H](O)CC.
What is the InChIKey of (4S)-4-ethyl-3-[(2S,3R)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is JNMRKPQWQSOFCT-XHNCKOQMSA-N. The full InChI is InChI=1S/C11H19NO4/c1-4-8-6-16-11(15)12(8)10(14)7(3)9(13)5-2/h7-9,13H,4-6H2,1-3H3/t7-,8-,9+/m0/s1.
What are the key properties of (4S)-4-ethyl-3-[(2S,3R)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one?
(4S)-4-ethyl-3-[(2S,3R)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-3-[(2S,3R)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58618771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).