4,4-dimethyl-1,3-oxazolidine;2-hydroxypropanoic acid

C8H17NO4 — CID 139301457

IUPAC4,4-dimethyl-1,3-oxazolidine;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CC1(C)COCN1
InChIInChI=1S/C5H11NO.C3H6O3/c1-5(2)3-7-4-6-5;1-2(4)3(5)6/h6H,3-4H2,1-2H3;2,4H,1H3,(H,5,6)
InChIKeyCKWJXBLKXCXXKT-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.21
Rot. Bonds1

About 4,4-dimethyl-1,3-oxazolidine;2-hydroxypropanoic acid

4,4-dimethyl-1,3-oxazolidine;2-hydroxypropanoic acid (PubChem CID 139301457) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4,4-dimethyl-1,3-oxazolidine;2-hydroxypropanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-1,3-oxazolidine;2-hydroxypropanoic acid
PubChem CID139301457
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name4,4-dimethyl-1,3-oxazolidine;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CC1(C)COCN1
InChIInChI=1S/C5H11NO.C3H6O3/c1-5(2)3-7-4-6-5;1-2(4)3(5)6/h6H,3-4H2,1-2H3;2,4H,1H3,(H,5,6)
InChIKeyCKWJXBLKXCXXKT-UHFFFAOYSA-N
XLogP-0.21
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,3-oxazolidine;2-hydroxypropanoic acid?
The IUPAC name of 4,4-dimethyl-1,3-oxazolidine;2-hydroxypropanoic acid (CID 139301457) is 4,4-dimethyl-1,3-oxazolidine;2-hydroxypropanoic acid.
What is the SMILES notation for 4,4-dimethyl-1,3-oxazolidine;2-hydroxypropanoic acid?
The canonical SMILES for 4,4-dimethyl-1,3-oxazolidine;2-hydroxypropanoic acid is CC(O)C(=O)O.CC1(C)COCN1.
What is the InChIKey of 4,4-dimethyl-1,3-oxazolidine;2-hydroxypropanoic acid?
The InChIKey is CKWJXBLKXCXXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C3H6O3/c1-5(2)3-7-4-6-5;1-2(4)3(5)6/h6H,3-4H2,1-2H3;2,4H,1H3,(H,5,6).
What are the key properties of 4,4-dimethyl-1,3-oxazolidine;2-hydroxypropanoic acid?
4,4-dimethyl-1,3-oxazolidine;2-hydroxypropanoic acid has a molecular weight of 191.23 g/mol, XLogP of -0.21, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,3-oxazolidine;2-hydroxypropanoic acid is sourced from PubChem (CID 139301457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).