3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid

C7H13NO3 — CID 58838584

IUPAC3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)N1COCC1C(=O)O
InChIInChI=1S/C7H13NO3/c1-5(2)8-4-11-3-6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyLWYGAYXZIRLKRL-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.14
Rot. Bonds2

About 3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid

3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 58838584) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
PubChem CID58838584
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)N1COCC1C(=O)O
InChIInChI=1S/C7H13NO3/c1-5(2)8-4-11-3-6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyLWYGAYXZIRLKRL-UHFFFAOYSA-N
XLogP0.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid (CID 58838584) is 3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid is CC(C)N1COCC1C(=O)O.
What is the InChIKey of 3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is LWYGAYXZIRLKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(2)8-4-11-3-6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 58838584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).