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

C12H21NO4 — CID 10562191

IUPAC(4S)-3-[(3R)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H](O)CC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C12H21NO4/c1-7(2)9-6-17-12(16)13(9)11(15)5-10(14)8(3)4/h7-10,14H,5-6H2,1-4H3/t9-,10-/m1/s1
InChIKeyRVUYKWXEWKHZRN-NXEZZACHSA-N
MW243.30 g/mol
LogP1.40
Rot. Bonds4

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

(4S)-3-[(3R)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10562191) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (4S)-3-[(3R)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3R)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10562191
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(4S)-3-[(3R)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H](O)CC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C12H21NO4/c1-7(2)9-6-17-12(16)13(9)11(15)5-10(14)8(3)4/h7-10,14H,5-6H2,1-4H3/t9-,10-/m1/s1
InChIKeyRVUYKWXEWKHZRN-NXEZZACHSA-N
XLogP1.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3R)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3R)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10562191) is (4S)-3-[(3R)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3R)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3R)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H](O)CC(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(3R)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is RVUYKWXEWKHZRN-NXEZZACHSA-N. The full InChI is InChI=1S/C12H21NO4/c1-7(2)9-6-17-12(16)13(9)11(15)5-10(14)8(3)4/h7-10,14H,5-6H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of (4S)-3-[(3R)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(3R)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 243.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3R)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10562191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).