1,3-oxazolidine;propanoic acid

C6H13NO3 — CID 20555398

IUPAC1,3-oxazolidine;propanoic acid
SMILESC1COCN1.CCC(=O)O
InChIInChI=1S/C3H7NO.C3H6O2/c1-2-5-3-4-1;1-2-3(4)5/h4H,1-3H2;2H2,1H3,(H,4,5)
InChIKeyDBWXPGHAGHSXMF-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.04
Rot. Bonds1

About 1,3-oxazolidine;propanoic acid

1,3-oxazolidine;propanoic acid (PubChem CID 20555398) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 1,3-oxazolidine;propanoic acid.

Molecular Properties

Compound Name1,3-oxazolidine;propanoic acid
PubChem CID20555398
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name1,3-oxazolidine;propanoic acid
SMILESC1COCN1.CCC(=O)O
InChIInChI=1S/C3H7NO.C3H6O2/c1-2-5-3-4-1;1-2-3(4)5/h4H,1-3H2;2H2,1H3,(H,4,5)
InChIKeyDBWXPGHAGHSXMF-UHFFFAOYSA-N
XLogP0.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidine;propanoic acid?
The IUPAC name of 1,3-oxazolidine;propanoic acid (CID 20555398) is 1,3-oxazolidine;propanoic acid.
What is the SMILES notation for 1,3-oxazolidine;propanoic acid?
The canonical SMILES for 1,3-oxazolidine;propanoic acid is C1COCN1.CCC(=O)O.
What is the InChIKey of 1,3-oxazolidine;propanoic acid?
The InChIKey is DBWXPGHAGHSXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C3H6O2/c1-2-5-3-4-1;1-2-3(4)5/h4H,1-3H2;2H2,1H3,(H,4,5).
What are the key properties of 1,3-oxazolidine;propanoic acid?
1,3-oxazolidine;propanoic acid has a molecular weight of 147.17 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidine;propanoic acid is sourced from PubChem (CID 20555398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).