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

C12H13NO4 — CID 10105471

IUPAC2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)N1OCCC1=O
InChIInChI=1S/C12H13NO4/c14-11-6-7-17-13(11)10(12(15)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)
InChIKeySZZGBNLYLPDYHG-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.85
Rot. Bonds4

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

2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid (PubChem CID 10105471) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid
PubChem CID10105471
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)N1OCCC1=O
InChIInChI=1S/C12H13NO4/c14-11-6-7-17-13(11)10(12(15)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)
InChIKeySZZGBNLYLPDYHG-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,7-dioxoazepan-1-yl)-3-phenylpropanoic acid
CID 43446699
2-(3,5-dioxothiomorpholin-4-yl)-3-phenylpropanoic acid
CID 104570352
(2S)-2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-3-phenylpropanoic acid
CID 67791576
2-methyl-3-[4-(3-oxo-1,2-oxazolidin-2-yl)phenyl]propanoic acid
CID 117375581
2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-3-phenylpropanoic acid
CID 141059879
2-[(4S,7R)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-3-phenylpropanoic acid
CID 59351949
prop-2-enyl (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate
CID 102417431
(2R)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-3-phenylpropanoic acid
CID 40734881
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid
CID 168658961
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-phenylpropanoic acid
CID 54773487
(2S)-2-amino-3-phenylpropanoic acid;1-hydroxypyrrolidine-2,5-dione
CID 160827059
(2R)-3-phenyl-2-(1,1,4-trihydroxy-1,2,5-thiadiazolidin-2-yl)propanoic acid
CID 174472135

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid?
The IUPAC name of 2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid (CID 10105471) is 2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid?
The canonical SMILES for 2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)N1OCCC1=O.
What is the InChIKey of 2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid?
The InChIKey is SZZGBNLYLPDYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c14-11-6-7-17-13(11)10(12(15)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16).
What are the key properties of 2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid?
2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid has a molecular weight of 235.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 10105471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).