2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid

C6H11NO3 — CID 18351415

IUPAC2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
SMILESCC1(C)NC(C(=O)O)CO1
InChIInChI=1S/C6H11NO3/c1-6(2)7-4(3-10-6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)
InChIKeyPPWHHAIRIFSDCP-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.20
Rot. Bonds1

About 2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid

2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 18351415) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
PubChem CID18351415
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
SMILESCC1(C)NC(C(=O)O)CO1
InChIInChI=1S/C6H11NO3/c1-6(2)7-4(3-10-6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)
InChIKeyPPWHHAIRIFSDCP-UHFFFAOYSA-N
XLogP-0.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid (CID 18351415) is 2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid is CC1(C)NC(C(=O)O)CO1.
What is the InChIKey of 2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is PPWHHAIRIFSDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(2)7-4(3-10-6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9).
What are the key properties of 2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid?
2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 145.16 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 18351415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).