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

C8H13NO3 — CID 71441651

IUPAC(4S)-3-methyl-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione
SMILESCC(C)C[C@H]1C(=O)OC(=O)N1C
InChIInChI=1S/C8H13NO3/c1-5(2)4-6-7(10)12-8(11)9(6)3/h5-6H,4H2,1-3H3/t6-/m0/s1
InChIKeyFJWBVFAPOCCDSU-LURJTMIESA-N
MW171.20 g/mol
LogP1.01
Rot. Bonds2

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

(4S)-3-methyl-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione (PubChem CID 71441651) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (4S)-3-methyl-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name(4S)-3-methyl-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione
PubChem CID71441651
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(4S)-3-methyl-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione
SMILESCC(C)C[C@H]1C(=O)OC(=O)N1C
InChIInChI=1S/C8H13NO3/c1-5(2)4-6-7(10)12-8(11)9(6)3/h5-6H,4H2,1-3H3/t6-/m0/s1
InChIKeyFJWBVFAPOCCDSU-LURJTMIESA-N
XLogP1.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

(S)-4-isopropyloxazolidine-2,5-dione
CID 100167
(S)-4-isobutyloxazolidine-2,5-dione
CID 10236023
(R)-4-Isobutyloxazolidine-2,5-dione
CID 637769
5-Cyclopropyl-7-oxa-5-azaspiro(3.4)octane-6,8-dione
CID 121553308
methyl (2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-4-methylpentanoate
CID 15655825
methyl (2S,4S)-1-acetyl-4-methylpyrrolidine-2-carboxylate
CID 58062513
methyl (2S,4R)-1-acetyl-4-methylpyrrolidine-2-carboxylate
CID 58062574
l-Leucine, N-ethoxycarbonyl-N-methyl-, isobutyl ester
CID 91726099
l-Leucine, N-ethoxycarbonyl-N-methyl-, pentyl ester
CID 91726104
l-Leucine, N-methyl-n-propoxycarbonyl-, propyl ester
CID 91729871
l-Leucine, N-methyl-n-propoxycarbonyl-, isobutyl ester
CID 91729962
l-Leucine, N-methyl-n-propoxycarbonyl-, butyl ester
CID 91729966

Frequently Asked Questions

What is the IUPAC name of (4S)-3-methyl-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione?
The IUPAC name of (4S)-3-methyl-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione (CID 71441651) is (4S)-3-methyl-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for (4S)-3-methyl-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione?
The canonical SMILES for (4S)-3-methyl-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione is CC(C)C[C@H]1C(=O)OC(=O)N1C.
What is the InChIKey of (4S)-3-methyl-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione?
The InChIKey is FJWBVFAPOCCDSU-LURJTMIESA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(2)4-6-7(10)12-8(11)9(6)3/h5-6H,4H2,1-3H3/t6-/m0/s1.
What are the key properties of (4S)-3-methyl-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione?
(4S)-3-methyl-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione has a molecular weight of 171.20 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methyl-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 71441651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).