4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

C7H13NO4 — CID 23355130

IUPAC4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OCC(CO)N1C(=O)O
InChIInChI=1S/C7H13NO4/c1-7(2)8(6(10)11)5(3-9)4-12-7/h5,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyOJPCTMYCKYJMRM-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.09
Rot. Bonds1

About 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 23355130) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID23355130
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OCC(CO)N1C(=O)O
InChIInChI=1S/C7H13NO4/c1-7(2)8(6(10)11)5(3-9)4-12-7/h5,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyOJPCTMYCKYJMRM-UHFFFAOYSA-N
XLogP0.09
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 23355130) is 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is CC1(C)OCC(CO)N1C(=O)O.
What is the InChIKey of 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is OJPCTMYCKYJMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-7(2)8(6(10)11)5(3-9)4-12-7/h5,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 175.18 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 23355130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).