2-(2-hydroxy-1,3-oxazolidin-4-yl)propanoic acid

C6H11NO4 — CID 123410128

IUPAC2-(2-hydroxy-1,3-oxazolidin-4-yl)propanoic acid
SMILESCC(C(=O)O)C1COC(O)N1
InChIInChI=1S/C6H11NO4/c1-3(5(8)9)4-2-11-6(10)7-4/h3-4,6-7,10H,2H2,1H3,(H,8,9)
InChIKeyJNJDOMYIHWJTHY-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.03
Rot. Bonds2

About 2-(2-hydroxy-1,3-oxazolidin-4-yl)propanoic acid

2-(2-hydroxy-1,3-oxazolidin-4-yl)propanoic acid (PubChem CID 123410128) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-(2-hydroxy-1,3-oxazolidin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-hydroxy-1,3-oxazolidin-4-yl)propanoic acid
PubChem CID123410128
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-(2-hydroxy-1,3-oxazolidin-4-yl)propanoic acid
SMILESCC(C(=O)O)C1COC(O)N1
InChIInChI=1S/C6H11NO4/c1-3(5(8)9)4-2-11-6(10)7-4/h3-4,6-7,10H,2H2,1H3,(H,8,9)
InChIKeyJNJDOMYIHWJTHY-UHFFFAOYSA-N
XLogP-1.03
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-oxiran-2-yl]propanoic acid
CID 54126922
(2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 101341979
2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
CID 45096105
2-(3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid
CID 76809360
1,4-dioxane-2,3-diol;2-hydroxypropanoic acid;titanium
CID 174822799
(4S)-2,4-di(propan-2-yl)-1,3-oxazolidine
CID 22951232
cyclopropanol;2-methylpropanoic acid
CID 174792699
2-methylpropanoic acid;oxiran-2-ylmethyl 2-methylpropanoate
CID 161434181
2-[2-(azetidin-3-yl)propanoylamino]propanoic acid
CID 116676916
2-(2-cyclopropylpropanoylamino)propanoic acid
CID 81456146
2-(3,6-diazabicyclo[3.1.1]heptan-3-yl)propanoic acid
CID 84765770
2-methyl-3-oxo-3-[(3-oxo-1,2-oxazolidin-4-yl)amino]propanoic acid
CID 130979863

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1,3-oxazolidin-4-yl)propanoic acid?
The IUPAC name of 2-(2-hydroxy-1,3-oxazolidin-4-yl)propanoic acid (CID 123410128) is 2-(2-hydroxy-1,3-oxazolidin-4-yl)propanoic acid.
What is the SMILES notation for 2-(2-hydroxy-1,3-oxazolidin-4-yl)propanoic acid?
The canonical SMILES for 2-(2-hydroxy-1,3-oxazolidin-4-yl)propanoic acid is CC(C(=O)O)C1COC(O)N1.
What is the InChIKey of 2-(2-hydroxy-1,3-oxazolidin-4-yl)propanoic acid?
The InChIKey is JNJDOMYIHWJTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-3(5(8)9)4-2-11-6(10)7-4/h3-4,6-7,10H,2H2,1H3,(H,8,9).
What are the key properties of 2-(2-hydroxy-1,3-oxazolidin-4-yl)propanoic acid?
2-(2-hydroxy-1,3-oxazolidin-4-yl)propanoic acid has a molecular weight of 161.16 g/mol, XLogP of -1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1,3-oxazolidin-4-yl)propanoic acid is sourced from PubChem (CID 123410128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).