(4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidine-2,5-dione

C9H15NO4 — CID 124582763

IUPAC(4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidine-2,5-dione
SMILESC[C@@H](OC(C)(C)C)[C@@H]1NC(=O)OC1=O
InChIInChI=1S/C9H15NO4/c1-5(14-9(2,3)4)6-7(11)13-8(12)10-6/h5-6H,1-4H3,(H,10,12)/t5-,6+/m1/s1
InChIKeyJBOKASBCFBZTCE-RITPCOANSA-N
MW201.22 g/mol
LogP0.82
Rot. Bonds2

About (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidine-2,5-dione

(4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidine-2,5-dione (PubChem CID 124582763) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidine-2,5-dione
PubChem CID124582763
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidine-2,5-dione
SMILESC[C@@H](OC(C)(C)C)[C@@H]1NC(=O)OC1=O
InChIInChI=1S/C9H15NO4/c1-5(14-9(2,3)4)6-7(11)13-8(12)10-6/h5-6H,1-4H3,(H,10,12)/t5-,6+/m1/s1
InChIKeyJBOKASBCFBZTCE-RITPCOANSA-N
XLogP0.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-(tert-butylsulfanylmethyl)-1,3-oxazolidine-2,5-dione
CID 76739962
4-(trifluoromethyl)-1,3-oxazolidine-2,5-dione
CID 169180999
4-(aminomethyl)-1,3-oxazolidine-2,5-dione
CID 89102587
9H-fluoren-9-ylmethyl (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-dioxo-1,3-oxazolidine-3-carboxylate
CID 14778072
(4R,5S)-4-tert-butyl-5-propan-2-yl-1,3-dioxolan-2-one
CID 135210558
4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
CID 12534588
2-(5-oxo-4-propan-2-yl-1,3-oxazolidin-2-ylidene)acetaldehyde
CID 91990513
2,2-dimethylpropane;3-propan-2-yloxolane-2,5-dione
CID 145340196
4-oxa-2-azabicyclo[4.2.0]octane-3,5-dione
CID 55301746
(4S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 101045025
3,6-bis(1-aminoethyl)piperazine-2,5-dione
CID 169008895
2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine
CID 134406960

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidine-2,5-dione?
The IUPAC name of (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidine-2,5-dione (CID 124582763) is (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidine-2,5-dione?
The canonical SMILES for (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidine-2,5-dione is C[C@@H](OC(C)(C)C)[C@@H]1NC(=O)OC1=O.
What is the InChIKey of (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidine-2,5-dione?
The InChIKey is JBOKASBCFBZTCE-RITPCOANSA-N. The full InChI is InChI=1S/C9H15NO4/c1-5(14-9(2,3)4)6-7(11)13-8(12)10-6/h5-6H,1-4H3,(H,10,12)/t5-,6+/m1/s1.
What are the key properties of (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidine-2,5-dione?
(4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidine-2,5-dione has a molecular weight of 201.22 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 124582763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).