3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoic acid

C12H13NO4 — CID 10376767

IUPAC3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)N1CCOC1=O
InChIInChI=1S/C12H13NO4/c14-11(15)8-10(9-4-2-1-3-5-9)13-6-7-17-12(13)16/h1-5,10H,6-8H2,(H,14,15)
InChIKeyYNSLINIWXMFCJF-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.65
Rot. Bonds4

About 3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoic acid

3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoic acid (PubChem CID 10376767) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoic acid
PubChem CID10376767
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)N1CCOC1=O
InChIInChI=1S/C12H13NO4/c14-11(15)8-10(9-4-2-1-3-5-9)13-6-7-17-12(13)16/h1-5,10H,6-8H2,(H,14,15)
InChIKeyYNSLINIWXMFCJF-UHFFFAOYSA-N
XLogP1.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-succinyl-l-phenylalanine
CID 4290942
Phenyl-pyrrolidin-1-yl-acetic acid
CID 646078
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
(4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid
CID 10969286
(2R,5R)-5-benzyl-1-methoxycarbonyl-2-methyl-2H-pyrrole-5-carboxylic acid
CID 5459742
(3R)-3-(dimethylamino)-3-phenylpropanoic acid
CID 28743062
(2S,5R)-1-[(tert-butoxy)carbonyl]-5-phenylpyrrolidine-2-carboxylic acid
CID 2755972
1-((Tert-butoxy)carbonyl)-5-phenylpyrrolidine-2-carboxylic acid
CID 4712505
N-(1(S)-Ethoxycarbonyl-3-phenylpropyl)-L-alanine N-carboxyanhydride
CID 9922512
(2R,5S)-1-((tert-butoxy)carbonyl)-5-phenylpyrrolidine-2-carboxylic acid
CID 17040153
2-{2-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-isoindol-1-yl}acetic acid
CID 58777860
(2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoic acid
CID 10037051

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoic acid?
The IUPAC name of 3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoic acid (CID 10376767) is 3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoic acid?
The canonical SMILES for 3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoic acid is O=C(O)CC(c1ccccc1)N1CCOC1=O.
What is the InChIKey of 3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoic acid?
The InChIKey is YNSLINIWXMFCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c14-11(15)8-10(9-4-2-1-3-5-9)13-6-7-17-12(13)16/h1-5,10H,6-8H2,(H,14,15).
What are the key properties of 3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoic acid?
3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoic acid has a molecular weight of 235.24 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 10376767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).