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

C8H13NO3 — CID 14895511

IUPAC(4R)-4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione
SMILESCN1C(=O)OC(=O)[C@H]1C(C)(C)C
InChIInChI=1S/C8H13NO3/c1-8(2,3)5-6(10)12-7(11)9(5)4/h5H,1-4H3/t5-/m0/s1
InChIKeyBEHGKYFZESVCRC-YFKPBYRVSA-N
MW171.20 g/mol
LogP1.01
Rot. Bonds

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

(4R)-4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione (PubChem CID 14895511) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (4R)-4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name(4R)-4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione
PubChem CID14895511
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(4R)-4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione
SMILESCN1C(=O)OC(=O)[C@H]1C(C)(C)C
InChIInChI=1S/C8H13NO3/c1-8(2,3)5-6(10)12-7(11)9(5)4/h5H,1-4H3/t5-/m0/s1
InChIKeyBEHGKYFZESVCRC-YFKPBYRVSA-N
XLogP1.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl (4S)-4-isopropyl-2,5-dioxo-1,3-oxazolidin-3-carboxylate
CID 11064599
3,3-Dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid
CID 63645325
(4S)-N-tert-Butyloxycarbonyl4-isopropyl-1,3-oxazolidin-5-one
CID 10998777
4-Tert-butyl-1,3-oxazolidine-2,5-dione
CID 15170727
(S)-4-(tert-butyl)oxazolidine-2,5-dione
CID 57351753
5-Oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylic acid
CID 22601133
(4R)-3,4-ditert-butyl-1,3-oxazolidine-2,5-dione
CID 14895513
(4S)-3-methyl-4-propan-2-yl-1,3-oxazolidine-2,5-dione
CID 10464563
(S)-tert-Butyl 4-isopropyl-2,5-dioxooxazolidine-3-carboxylate
CID 11492461
tert-butyl (4R)-2,5-dioxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
CID 11770651
4-Tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione
CID 14895510
3,4-Diisopropyl-oxazolidine-2,5-dione
CID 20461183

Frequently Asked Questions

What is the IUPAC name of (4R)-4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione?
The IUPAC name of (4R)-4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione (CID 14895511) is (4R)-4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for (4R)-4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for (4R)-4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione is CN1C(=O)OC(=O)[C@H]1C(C)(C)C.
What is the InChIKey of (4R)-4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione?
The InChIKey is BEHGKYFZESVCRC-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H13NO3/c1-8(2,3)5-6(10)12-7(11)9(5)4/h5H,1-4H3/t5-/m0/s1.
What are the key properties of (4R)-4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione?
(4R)-4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione has a molecular weight of 171.20 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 14895511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).