3-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propanoic acid

C9H17NO3 — CID 23594724

IUPAC3-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propanoic acid
SMILESCN1C(CCC(=O)O)COC1(C)C
InChIInChI=1S/C9H17NO3/c1-9(2)10(3)7(6-13-9)4-5-8(11)12/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyZLRGPFPXARMXEW-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.92
Rot. Bonds3

About 3-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propanoic acid

3-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propanoic acid (PubChem CID 23594724) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propanoic acid
PubChem CID23594724
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propanoic acid
SMILESCN1C(CCC(=O)O)COC1(C)C
InChIInChI=1S/C9H17NO3/c1-9(2)10(3)7(6-13-9)4-5-8(11)12/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyZLRGPFPXARMXEW-UHFFFAOYSA-N
XLogP0.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]propanoic acid
CID 10635974
CID 145480682
CID 145480682
2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde
CID 22971630
4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 22247795
4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 22352321
(4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one
CID 59079553
4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 67188865
3-[2-methyl-2-(oxan-4-yl)-1,3-dioxolan-4-yl]propanoic acid
CID 117168507
3-(4-butylmorpholin-3-yl)propanoic acid
CID 117009382
4-[(Z)-3-fluoro-4-isocyanobut-2-enyl]-2,2,3-trimethyl-1,3-oxazolidine
CID 59883062
3-(5-oxo-4-propylmorpholin-3-yl)propanoic acid
CID 115060552
4-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-3,3-dimethylbutanoic acid
CID 68653916

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propanoic acid?
The IUPAC name of 3-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propanoic acid (CID 23594724) is 3-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propanoic acid?
The canonical SMILES for 3-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propanoic acid is CN1C(CCC(=O)O)COC1(C)C.
What is the InChIKey of 3-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propanoic acid?
The InChIKey is ZLRGPFPXARMXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2)10(3)7(6-13-9)4-5-8(11)12/h7H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 3-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propanoic acid?
3-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propanoic acid is sourced from PubChem (CID 23594724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).