(4S)-3-methyl-4-propan-2-yl-1,3-oxazolidine-2,5-dione

C7H11NO3 — CID 10464563

IUPAC(4S)-3-methyl-4-propan-2-yl-1,3-oxazolidine-2,5-dione
SMILESCC(C)[C@H]1C(=O)OC(=O)N1C
InChIInChI=1S/C7H11NO3/c1-4(2)5-6(9)11-7(10)8(5)3/h4-5H,1-3H3/t5-/m0/s1
InChIKeyHMFJXFKAYXONNA-YFKPBYRVSA-N
MW157.17 g/mol
LogP0.62
Rot. Bonds1

About (4S)-3-methyl-4-propan-2-yl-1,3-oxazolidine-2,5-dione

(4S)-3-methyl-4-propan-2-yl-1,3-oxazolidine-2,5-dione (PubChem CID 10464563) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (4S)-3-methyl-4-propan-2-yl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name(4S)-3-methyl-4-propan-2-yl-1,3-oxazolidine-2,5-dione
PubChem CID10464563
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(4S)-3-methyl-4-propan-2-yl-1,3-oxazolidine-2,5-dione
SMILESCC(C)[C@H]1C(=O)OC(=O)N1C
InChIInChI=1S/C7H11NO3/c1-4(2)5-6(9)11-7(10)8(5)3/h4-5H,1-3H3/t5-/m0/s1
InChIKeyHMFJXFKAYXONNA-YFKPBYRVSA-N
XLogP0.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.62
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

2,5-Oxazolidinedione, 4-(1-methylethyl)-, (4S)-
CID 9898854
4-Isopropyloxazolidine-2,5-dione
CID 102885
tert-Butyl (4S)-4-isopropyl-2,5-dioxo-1,3-oxazolidin-3-carboxylate
CID 11064599
(L)-3,4-dimethyl-1,3-oxazolidine-2,5-dione
CID 54448435
(4S)-N-tert-Butyloxycarbonyl4-isopropyl-1,3-oxazolidin-5-one
CID 10998777
(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione
CID 59001744
5-Oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylic acid
CID 22601133
(R)-4-Isopropyloxazolidine-2,5-dione
CID 637765
(4R)-4-tert-butyl-3-methyl-1,3-oxazolidine-2,5-dione
CID 14895511
(4R)-3,4-ditert-butyl-1,3-oxazolidine-2,5-dione
CID 14895513
(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

Frequently Asked Questions

What is the IUPAC name of (4S)-3-methyl-4-propan-2-yl-1,3-oxazolidine-2,5-dione?
The IUPAC name of (4S)-3-methyl-4-propan-2-yl-1,3-oxazolidine-2,5-dione (CID 10464563) is (4S)-3-methyl-4-propan-2-yl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for (4S)-3-methyl-4-propan-2-yl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for (4S)-3-methyl-4-propan-2-yl-1,3-oxazolidine-2,5-dione is CC(C)[C@H]1C(=O)OC(=O)N1C.
What is the InChIKey of (4S)-3-methyl-4-propan-2-yl-1,3-oxazolidine-2,5-dione?
The InChIKey is HMFJXFKAYXONNA-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4(2)5-6(9)11-7(10)8(5)3/h4-5H,1-3H3/t5-/m0/s1.
What are the key properties of (4S)-3-methyl-4-propan-2-yl-1,3-oxazolidine-2,5-dione?
(4S)-3-methyl-4-propan-2-yl-1,3-oxazolidine-2,5-dione has a molecular weight of 157.17 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methyl-4-propan-2-yl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 10464563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).