(4S)-3-[(2R,3R,4S)-3-hydroxy-2,4,6-trimethylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C16H29NO4 — CID 102573005

IUPAC(4S)-3-[(2R,3R,4S)-3-hydroxy-2,4,6-trimethylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C[C@H](C)[C@@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C16H29NO4/c1-9(2)7-11(5)14(18)12(6)15(19)17-13(10(3)4)8-21-16(17)20/h9-14,18H,7-8H2,1-6H3/t11-,12+,13+,14+/m0/s1
InChIKeyMBQFGEJNUMAILJ-REWJHTLYSA-N
MW299.41 g/mol
LogP2.67
Rot. Bonds6

About (4S)-3-[(2R,3R,4S)-3-hydroxy-2,4,6-trimethylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(2R,3R,4S)-3-hydroxy-2,4,6-trimethylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 102573005) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is (4S)-3-[(2R,3R,4S)-3-hydroxy-2,4,6-trimethylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R,3R,4S)-3-hydroxy-2,4,6-trimethylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID102573005
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name(4S)-3-[(2R,3R,4S)-3-hydroxy-2,4,6-trimethylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C[C@H](C)[C@@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C16H29NO4/c1-9(2)7-11(5)14(18)12(6)15(19)17-13(10(3)4)8-21-16(17)20/h9-14,18H,7-8H2,1-6H3/t11-,12+,13+,14+/m0/s1
InChIKeyMBQFGEJNUMAILJ-REWJHTLYSA-N
XLogP2.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-3-[(2R,3R,4S)-3-hydroxy-2,4,6-trimethylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylideneoctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846908
(4S)-3-[(2S,3R)-3-hydroxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49847057
tert-Butyl (2S)-3-hydroxy-2-isopropyl-5-oxopyrrolidine-1-carboxylate
CID 51342197
(4S)-3-[(3S)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 59907770
(4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 59907790
(4R)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70118281
(4R)-3-[(3S)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70119899
(4S)-3-[(3R)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10562191
tert-butyl (2R,3S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate
CID 10934133
(4S)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10956219
(4S)-3-[(2S,3R)-7-chloro-3-hydroxy-2-methylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11688093
(4S)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 12684902

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R,3R,4S)-3-hydroxy-2,4,6-trimethylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R,3R,4S)-3-hydroxy-2,4,6-trimethylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 102573005) is (4S)-3-[(2R,3R,4S)-3-hydroxy-2,4,6-trimethylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R,3R,4S)-3-hydroxy-2,4,6-trimethylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R,3R,4S)-3-hydroxy-2,4,6-trimethylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C[C@H](C)[C@@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(2R,3R,4S)-3-hydroxy-2,4,6-trimethylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is MBQFGEJNUMAILJ-REWJHTLYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-9(2)7-11(5)14(18)12(6)15(19)17-13(10(3)4)8-21-16(17)20/h9-14,18H,7-8H2,1-6H3/t11-,12+,13+,14+/m0/s1.
What are the key properties of (4S)-3-[(2R,3R,4S)-3-hydroxy-2,4,6-trimethylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2R,3R,4S)-3-hydroxy-2,4,6-trimethylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 299.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R,3R,4S)-3-hydroxy-2,4,6-trimethylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102573005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).