(4S)-4-tert-butyl-1,3-oxazolidine-2,5-dione

C7H11NO3 — CID 57351753

IUPAC(4S)-4-tert-butyl-1,3-oxazolidine-2,5-dione
SMILESCC(C)(C)[C@@H]1NC(=O)OC1=O
InChIInChI=1S/C7H11NO3/c1-7(2,3)4-5(9)11-6(10)8-4/h4H,1-3H3,(H,8,10)/t4-/m1/s1
InChIKeyGRDXOXRGSKKLNH-SCSAIBSYSA-N
MW157.17 g/mol
LogP0.67
Rot. Bonds

About (4S)-4-tert-butyl-1,3-oxazolidine-2,5-dione

(4S)-4-tert-butyl-1,3-oxazolidine-2,5-dione (PubChem CID 57351753) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (4S)-4-tert-butyl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-tert-butyl-1,3-oxazolidine-2,5-dione
PubChem CID57351753
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(4S)-4-tert-butyl-1,3-oxazolidine-2,5-dione
SMILESCC(C)(C)[C@@H]1NC(=O)OC1=O
InChIInChI=1S/C7H11NO3/c1-7(2,3)4-5(9)11-6(10)8-4/h4H,1-3H3,(H,8,10)/t4-/m1/s1
InChIKeyGRDXOXRGSKKLNH-SCSAIBSYSA-N
XLogP0.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-4-isopropyloxazolidine-2,5-dione
CID 100167
2,5-Oxazolidinedione, 4-(1-methylethyl)-, (4S)-
CID 9898854
4-Isopropyloxazolidine-2,5-dione
CID 102885
(S)-4-isobutyloxazolidine-2,5-dione
CID 10236023
(R)-4-Isobutyloxazolidine-2,5-dione
CID 637769
L-Isoleucine N-carboxyanhydride
CID 57277159
4-(1-Methylpropyl)oxazolidine-2,5-dione
CID 110722
4-Tert-butyl-1,3-oxazolidine-2,5-dione
CID 15170727
4-(2-Fluoropropan-2-yl)-1,3-oxazolidine-2,5-dione
CID 169180840
Methyl 2-formamido-3,3-dimethylbutanoate
CID 56982521
methyl (2S)-2-formamido-3,3-dimethylbutanoate
CID 89249938
(R)-4-Isopropyloxazolidine-2,5-dione
CID 637765

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-1,3-oxazolidine-2,5-dione?
The IUPAC name of (4S)-4-tert-butyl-1,3-oxazolidine-2,5-dione (CID 57351753) is (4S)-4-tert-butyl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for (4S)-4-tert-butyl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for (4S)-4-tert-butyl-1,3-oxazolidine-2,5-dione is CC(C)(C)[C@@H]1NC(=O)OC1=O.
What is the InChIKey of (4S)-4-tert-butyl-1,3-oxazolidine-2,5-dione?
The InChIKey is GRDXOXRGSKKLNH-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-7(2,3)4-5(9)11-6(10)8-4/h4H,1-3H3,(H,8,10)/t4-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-1,3-oxazolidine-2,5-dione?
(4S)-4-tert-butyl-1,3-oxazolidine-2,5-dione has a molecular weight of 157.17 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 57351753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).