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

C8H15NO4 — CID 22895114

IUPAC2-(3-hydroxy-2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid
SMILESCC1(C)COC(C)(CC(=O)O)N1O
InChIInChI=1S/C8H15NO4/c1-7(2)5-13-8(3,9(7)12)4-6(10)11/h12H,4-5H2,1-3H3,(H,10,11)
InChIKeyPIWMPHPAJAVVGJ-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.68
Rot. Bonds2

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

2-(3-hydroxy-2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid (PubChem CID 22895114) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(3-hydroxy-2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid
PubChem CID22895114
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-(3-hydroxy-2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid
SMILESCC1(C)COC(C)(CC(=O)O)N1O
InChIInChI=1S/C8H15NO4/c1-7(2)5-13-8(3,9(7)12)4-6(10)11/h12H,4-5H2,1-3H3,(H,10,11)
InChIKeyPIWMPHPAJAVVGJ-UHFFFAOYSA-N
XLogP0.68
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4,4-Trimethyl-1,3-oxazolidin-2-yl)acetic acid
CID 22895090
CID 59919151
CID 59919151

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid?
The IUPAC name of 2-(3-hydroxy-2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid (CID 22895114) is 2-(3-hydroxy-2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid.
What is the SMILES notation for 2-(3-hydroxy-2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid?
The canonical SMILES for 2-(3-hydroxy-2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid is CC1(C)COC(C)(CC(=O)O)N1O.
What is the InChIKey of 2-(3-hydroxy-2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid?
The InChIKey is PIWMPHPAJAVVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-7(2)5-13-8(3,9(7)12)4-6(10)11/h12H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-(3-hydroxy-2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid?
2-(3-hydroxy-2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid has a molecular weight of 189.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2,4,4-trimethyl-1,3-oxazolidin-2-yl)acetic acid is sourced from PubChem (CID 22895114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).