(4S)-3-[(2S)-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C13H23NO3 — CID 102573003

IUPAC(4S)-3-[(2S)-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C13H23NO3/c1-8(2)6-10(5)12(15)14-11(9(3)4)7-17-13(14)16/h8-11H,6-7H2,1-5H3/t10-,11+/m0/s1
InChIKeyHYLZCYUHJHMKGH-WDEREUQCSA-N
MW241.33 g/mol
LogP2.67
Rot. Bonds4

About (4S)-3-[(2S)-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(2S)-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 102573003) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (4S)-3-[(2S)-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S)-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID102573003
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(4S)-3-[(2S)-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C13H23NO3/c1-8(2)6-10(5)12(15)14-11(9(3)4)7-17-13(14)16/h8-11H,6-7H2,1-5H3/t10-,11+/m0/s1
InChIKeyHYLZCYUHJHMKGH-WDEREUQCSA-N
XLogP2.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S)-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S)-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 102573003) is (4S)-3-[(2S)-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S)-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S)-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(2S)-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is HYLZCYUHJHMKGH-WDEREUQCSA-N. The full InChI is InChI=1S/C13H23NO3/c1-8(2)6-10(5)12(15)14-11(9(3)4)7-17-13(14)16/h8-11H,6-7H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of (4S)-3-[(2S)-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2S)-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 241.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S)-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102573003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).