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

C6H11NO3 — CID 19081047

IUPAC2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OCCN1C(=O)O
InChIInChI=1S/C6H11NO3/c1-6(2)7(5(8)9)3-4-10-6/h3-4H2,1-2H3,(H,8,9)
InChIKeyMRNPEODSSIKDBF-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.73
Rot. Bonds

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

2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 19081047) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID19081047
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OCCN1C(=O)O
InChIInChI=1S/C6H11NO3/c1-6(2)7(5(8)9)3-4-10-6/h3-4H2,1-2H3,(H,8,9)
InChIKeyMRNPEODSSIKDBF-UHFFFAOYSA-N
XLogP0.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 19081047) is 2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is CC1(C)OCCN1C(=O)O.
What is the InChIKey of 2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is MRNPEODSSIKDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(2)7(5(8)9)3-4-10-6/h3-4H2,1-2H3,(H,8,9).
What are the key properties of 2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 145.16 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 19081047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).