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

C6H12NO3+ — CID 143885197

IUPAC3-(1,3-oxazolidin-3-ium-3-yl)propanoic acid
SMILESO=C(O)CC[NH+]1CCOC1
InChIInChI=1S/C6H11NO3/c8-6(9)1-2-7-3-4-10-5-7/h1-5H2,(H,8,9)/p+1
InChIKeyJSLWQUXEPYBQTO-UHFFFAOYSA-O
MW146.17 g/mol
LogP-1.67
Rot. Bonds3

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

3-(1,3-oxazolidin-3-ium-3-yl)propanoic acid (PubChem CID 143885197) has the molecular formula C6H12NO3+ and a molecular weight of 146.17 g/mol. Its IUPAC name is 3-(1,3-oxazolidin-3-ium-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1,3-oxazolidin-3-ium-3-yl)propanoic acid
PubChem CID143885197
Molecular FormulaC6H12NO3+
Molecular Weight146.17 g/mol
Exact Mass146.08
IUPAC Name3-(1,3-oxazolidin-3-ium-3-yl)propanoic acid
SMILESO=C(O)CC[NH+]1CCOC1
InChIInChI=1S/C6H11NO3/c8-6(9)1-2-7-3-4-10-5-7/h1-5H2,(H,8,9)/p+1
InChIKeyJSLWQUXEPYBQTO-UHFFFAOYSA-O
XLogP-1.67
TPSA50.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-Methoxyethyl)amino]propanoic acid
CID 22937888
1,3-Oxazolidine;propanoic acid
CID 20555398
2-(1,3-Oxazolidin-2-yl)propanoic acid
CID 21413037
2-(1,3-Oxazolidin-2-yl)acetic acid
CID 53838113
3-(1,3-Oxazolidin-3-yl)propanoic acid
CID 69191420
2-(1,3-Oxazolidin-4-yl)acetic acid
CID 91979915
2-(2-Hydroxyethyl)-1,3-oxazolidin-5-one
CID 153767912
3-(2-Carbamoyloxyethylamino)propanoic acid
CID 83210156

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazolidin-3-ium-3-yl)propanoic acid?
The IUPAC name of 3-(1,3-oxazolidin-3-ium-3-yl)propanoic acid (CID 143885197) is 3-(1,3-oxazolidin-3-ium-3-yl)propanoic acid.
What is the SMILES notation for 3-(1,3-oxazolidin-3-ium-3-yl)propanoic acid?
The canonical SMILES for 3-(1,3-oxazolidin-3-ium-3-yl)propanoic acid is O=C(O)CC[NH+]1CCOC1.
What is the InChIKey of 3-(1,3-oxazolidin-3-ium-3-yl)propanoic acid?
The InChIKey is JSLWQUXEPYBQTO-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11NO3/c8-6(9)1-2-7-3-4-10-5-7/h1-5H2,(H,8,9)/p+1.
What are the key properties of 3-(1,3-oxazolidin-3-ium-3-yl)propanoic acid?
3-(1,3-oxazolidin-3-ium-3-yl)propanoic acid has a molecular weight of 146.17 g/mol, XLogP of -1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazolidin-3-ium-3-yl)propanoic acid is sourced from PubChem (CID 143885197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).