(4S,5S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid

C13H15NO5 — CID 129249020

IUPAC(4S,5S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
SMILESCOc1ccc(CN2C(=O)O[C@H](C(=O)O)[C@@H]2C)cc1
InChIInChI=1S/C13H15NO5/c1-8-11(12(15)16)19-13(17)14(8)7-9-3-5-10(18-2)6-4-9/h3-6,8,11H,7H2,1-2H3,(H,15,16)/t8-,11-/m0/s1
InChIKeyYTWJDAYXAZWEOR-KWQFWETISA-N
MW265.26 g/mol
LogP1.49
Rot. Bonds4

About (4S,5S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid

(4S,5S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid (PubChem CID 129249020) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is (4S,5S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name(4S,5S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
PubChem CID129249020
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name(4S,5S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
SMILESCOc1ccc(CN2C(=O)O[C@H](C(=O)O)[C@@H]2C)cc1
InChIInChI=1S/C13H15NO5/c1-8-11(12(15)16)19-13(17)14(8)7-9-3-5-10(18-2)6-4-9/h3-6,8,11H,7H2,1-2H3,(H,15,16)/t8-,11-/m0/s1
InChIKeyYTWJDAYXAZWEOR-KWQFWETISA-N
XLogP1.49
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of (4S,5S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid (CID 129249020) is (4S,5S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for (4S,5S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for (4S,5S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid is COc1ccc(CN2C(=O)O[C@H](C(=O)O)[C@@H]2C)cc1.
What is the InChIKey of (4S,5S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is YTWJDAYXAZWEOR-KWQFWETISA-N. The full InChI is InChI=1S/C13H15NO5/c1-8-11(12(15)16)19-13(17)14(8)7-9-3-5-10(18-2)6-4-9/h3-6,8,11H,7H2,1-2H3,(H,15,16)/t8-,11-/m0/s1.
What are the key properties of (4S,5S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?
(4S,5S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 129249020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).