(4S)-3-(3-methylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one

C11H19NO3 — CID 10856824

IUPAC(4S)-3-(3-methylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)CC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C11H19NO3/c1-7(2)5-10(13)12-9(8(3)4)6-15-11(12)14/h7-9H,5-6H2,1-4H3/t9-/m1/s1
InChIKeyTZFXVYWRBTZTML-SECBINFHSA-N
MW213.28 g/mol
LogP2.04
Rot. Bonds3

About (4S)-3-(3-methylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-(3-methylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10856824) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (4S)-3-(3-methylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(3-methylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10856824
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(4S)-3-(3-methylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)CC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C11H19NO3/c1-7(2)5-10(13)12-9(8(3)4)6-15-11(12)14/h7-9H,5-6H2,1-4H3/t9-/m1/s1
InChIKeyTZFXVYWRBTZTML-SECBINFHSA-N
XLogP2.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methylpentanoyl)-1,3-oxazolidin-2-one
CID 24790368
4-Isopropyl-3-propionyl-2-oxazolidinone
CID 190974
US10214537, Example 158
CID 57765494
(4S)-4-(1-Methylethyl)-3-(5,5,5-trifluoro-1-oxopentyl)-2-oxazolidinone
CID 68315009
(4R)-3-Propanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 643512
(S)-(+)-4-Isopropyl-3-propionyl-2-oxazolidinone
CID 853160
(4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135055249
(4S)-3-[(2S)-2-fluoro-3,3-dimethylbutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135056187
(4S)-3-Butanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 10330387
4-(S)-Isopropyl-3-(1-oxodecyl)-2-oxazolidinone
CID 10755432
(4S)-3-(3,3-dimethylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10878892
N-acetyl-(4s)-isopropyl 2-oxazolidinone
CID 11126719

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(3-methylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(3-methylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10856824) is (4S)-3-(3-methylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(3-methylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(3-methylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)CC(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-(3-methylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is TZFXVYWRBTZTML-SECBINFHSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(2)5-10(13)12-9(8(3)4)6-15-11(12)14/h7-9H,5-6H2,1-4H3/t9-/m1/s1.
What are the key properties of (4S)-3-(3-methylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(3-methylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(3-methylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10856824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).