3-(1,3-oxazolidin-3-yl)propanoic acid

C6H11NO3 — CID 69191420

IUPAC3-(1,3-oxazolidin-3-yl)propanoic acid
SMILESO=C(O)CCN1CCOC1
InChIInChI=1S/C6H11NO3/c8-6(9)1-2-7-3-4-10-5-7/h1-5H2,(H,8,9)
InChIKeyJSLWQUXEPYBQTO-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.25
Rot. Bonds3

About 3-(1,3-oxazolidin-3-yl)propanoic acid

3-(1,3-oxazolidin-3-yl)propanoic acid (PubChem CID 69191420) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-(1,3-oxazolidin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1,3-oxazolidin-3-yl)propanoic acid
PubChem CID69191420
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name3-(1,3-oxazolidin-3-yl)propanoic acid
SMILESO=C(O)CCN1CCOC1
InChIInChI=1S/C6H11NO3/c8-6(9)1-2-7-3-4-10-5-7/h1-5H2,(H,8,9)
InChIKeyJSLWQUXEPYBQTO-UHFFFAOYSA-N
XLogP-0.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Oxo-1,3-oxazolidin-3-yl)propanoic acid
CID 28395428
N-(2-methoxyethyl)-N-methyl-beta-alanine
CID 25219163
Methyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate
CID 58152808
methyl 3-[(3R)-3-methyl-1,3-oxazolidin-3-ium-3-yl]propanoate
CID 122518924
3-(1,3-Oxazolidin-3-ium-3-yl)propanoic acid
CID 143885197
Methane;methyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate
CID 159485118
Methyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate chloride
CID 169425037
2-Methyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoic acid
CID 60773665
3-Hydroxy-1-pyrrolidinepropanoic acid
CID 62917334
3-[(3S)-3-hydroxypyrrolidin-1-yl]propanoic acid
CID 64280681
3-[(3R)-3-hydroxypyrrolidin-1-yl]propanoic acid
CID 78967425
3-(4-Methyl-2-oxo-1,3-oxazolidin-3-yl)propanoic acid
CID 84033010

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazolidin-3-yl)propanoic acid?
The IUPAC name of 3-(1,3-oxazolidin-3-yl)propanoic acid (CID 69191420) is 3-(1,3-oxazolidin-3-yl)propanoic acid.
What is the SMILES notation for 3-(1,3-oxazolidin-3-yl)propanoic acid?
The canonical SMILES for 3-(1,3-oxazolidin-3-yl)propanoic acid is O=C(O)CCN1CCOC1.
What is the InChIKey of 3-(1,3-oxazolidin-3-yl)propanoic acid?
The InChIKey is JSLWQUXEPYBQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c8-6(9)1-2-7-3-4-10-5-7/h1-5H2,(H,8,9).
What are the key properties of 3-(1,3-oxazolidin-3-yl)propanoic acid?
3-(1,3-oxazolidin-3-yl)propanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazolidin-3-yl)propanoic acid is sourced from PubChem (CID 69191420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).