2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-5-yl)propanoic acid;ethane;2-methylpropane

C14H29NO4 — CID 142241208

IUPAC2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-5-yl)propanoic acid;ethane;2-methylpropane
SMILESCC.CC(C)(CC1CNC(=O)O1)C(=O)O.CC(C)C
InChIInChI=1S/C8H13NO4.C4H10.C2H6/c1-8(2,6(10)11)3-5-4-9-7(12)13-5;1-4(2)3;1-2/h5H,3-4H2,1-2H3,(H,9,12)(H,10,11);4H,1-3H3;1-2H3
InChIKeyKKBMDAKTMPAZSR-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.28
Rot. Bonds3

About 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-5-yl)propanoic acid;ethane;2-methylpropane

2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-5-yl)propanoic acid;ethane;2-methylpropane (PubChem CID 142241208) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-5-yl)propanoic acid;ethane;2-methylpropane.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-5-yl)propanoic acid;ethane;2-methylpropane
PubChem CID142241208
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-5-yl)propanoic acid;ethane;2-methylpropane
SMILESCC.CC(C)(CC1CNC(=O)O1)C(=O)O.CC(C)C
InChIInChI=1S/C8H13NO4.C4H10.C2H6/c1-8(2,6(10)11)3-5-4-9-7(12)13-5;1-4(2)3;1-2/h5H,3-4H2,1-2H3,(H,9,12)(H,10,11);4H,1-3H3;1-2H3
InChIKeyKKBMDAKTMPAZSR-UHFFFAOYSA-N
XLogP3.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-5-yl)propanoic acid;ethane;2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-5-yl)propanoic acid;ethane;2-methylpropane?
The IUPAC name of 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-5-yl)propanoic acid;ethane;2-methylpropane (CID 142241208) is 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-5-yl)propanoic acid;ethane;2-methylpropane.
What is the SMILES notation for 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-5-yl)propanoic acid;ethane;2-methylpropane?
The canonical SMILES for 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-5-yl)propanoic acid;ethane;2-methylpropane is CC.CC(C)(CC1CNC(=O)O1)C(=O)O.CC(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-5-yl)propanoic acid;ethane;2-methylpropane?
The InChIKey is KKBMDAKTMPAZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4.C4H10.C2H6/c1-8(2,6(10)11)3-5-4-9-7(12)13-5;1-4(2)3;1-2/h5H,3-4H2,1-2H3,(H,9,12)(H,10,11);4H,1-3H3;1-2H3.
What are the key properties of 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-5-yl)propanoic acid;ethane;2-methylpropane?
2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-5-yl)propanoic acid;ethane;2-methylpropane has a molecular weight of 275.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-5-yl)propanoic acid;ethane;2-methylpropane is sourced from PubChem (CID 142241208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).