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

C8H15NO3 — CID 22895090

IUPAC2-(2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid
SMILESCC1(C)COC(C)(CC(=O)O)N1
InChIInChI=1S/C8H15NO3/c1-7(2)5-12-8(3,9-7)4-6(10)11/h9H,4-5H2,1-3H3,(H,10,11)
InChIKeyCSMVIVJSRJGUGH-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.58
Rot. Bonds2

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

2-(2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid (PubChem CID 22895090) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid
PubChem CID22895090
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid
SMILESCC1(C)COC(C)(CC(=O)O)N1
InChIInChI=1S/C8H15NO3/c1-7(2)5-12-8(3,9-7)4-6(10)11/h9H,4-5H2,1-3H3,(H,10,11)
InChIKeyCSMVIVJSRJGUGH-UHFFFAOYSA-N
XLogP0.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-methyl-1,3-oxazolidine-2-acetate
CID 565864
2-(3-Hydroxy-2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid
CID 22895114
CID 59919151
CID 59919151
2,2,4-Trimethyl-1,3-oxazolidine-4-carboxylic acid
CID 142688895

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid?
The IUPAC name of 2-(2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid (CID 22895090) is 2-(2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid.
What is the SMILES notation for 2-(2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid?
The canonical SMILES for 2-(2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid is CC1(C)COC(C)(CC(=O)O)N1.
What is the InChIKey of 2-(2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid?
The InChIKey is CSMVIVJSRJGUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-7(2)5-12-8(3,9-7)4-6(10)11/h9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-(2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid?
2-(2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid has a molecular weight of 173.21 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid is sourced from PubChem (CID 22895090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).