(4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one

C14H24N2O5 — CID 59079553

IUPAC(4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1C(=O)[C@@H](O)C[C@H]1COC(C)(C)N1C
InChIInChI=1S/C14H24N2O5/c1-5-9-7-20-13(19)16(9)12(18)11(17)6-10-8-21-14(2,3)15(10)4/h9-11,17H,5-8H2,1-4H3/t9-,10-,11-/m0/s1
InChIKeyTZKGCWAVIHMRGW-DCAQKATOSA-N
MW300.36 g/mol
LogP0.56
Rot. Bonds4

About (4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one

(4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one (PubChem CID 59079553) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is (4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one
PubChem CID59079553
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name(4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1C(=O)[C@@H](O)C[C@H]1COC(C)(C)N1C
InChIInChI=1S/C14H24N2O5/c1-5-9-7-20-13(19)16(9)12(18)11(17)6-10-8-21-14(2,3)15(10)4/h9-11,17H,5-8H2,1-4H3/t9-,10-,11-/m0/s1
InChIKeyTZKGCWAVIHMRGW-DCAQKATOSA-N
XLogP0.56
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

4-ethyl-3-[2-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 23594734
tert-butyl (4S)-4-[(2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59043343
(4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one
CID 59045502
4-ethyl-3-propanoyl-1,3-oxazolidin-2-one
CID 71379112
(2S)-2-benzyl-1-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]pentane-1,4-dione
CID 59100324
(4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 139669339
(4S)-3-(2-chloropropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 139669354
3-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propanoic acid
CID 23594724
2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
CID 70676873
2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde
CID 22971630
4-ethyl-3-[3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one
CID 22982721
(4S)-3-[(Z,2S)-2-hydroxy-5-methyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one
CID 59077232

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one (CID 59079553) is (4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one is CC[C@H]1COC(=O)N1C(=O)[C@@H](O)C[C@H]1COC(C)(C)N1C.
What is the InChIKey of (4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is TZKGCWAVIHMRGW-DCAQKATOSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-5-9-7-20-13(19)16(9)12(18)11(17)6-10-8-21-14(2,3)15(10)4/h9-11,17H,5-8H2,1-4H3/t9-,10-,11-/m0/s1.
What are the key properties of (4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one?
(4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 300.36 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59079553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).