(2S)-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylic acid

C19H22N2O5 — CID 129116017

IUPAC(2S)-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylic acid
SMILESC[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@H]1CC12CCN(C(=O)O)CC2
InChIInChI=1S/C19H22N2O5/c1-12-15(13-5-3-2-4-6-13)26-18(25)21(12)16(22)14-11-19(14)7-9-20(10-8-19)17(23)24/h2-6,12,14-15H,7-11H2,1H3,(H,23,24)/t12-,14-,15-/m1/s1
InChIKeyQYPVDMDFGLLEGG-BPLDGKMQSA-N
MW358.39 g/mol
LogP2.88
Rot. Bonds2

About (2S)-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylic acid

(2S)-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylic acid (PubChem CID 129116017) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is (2S)-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylic acid
PubChem CID129116017
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name(2S)-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylic acid
SMILESC[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@H]1CC12CCN(C(=O)O)CC2
InChIInChI=1S/C19H22N2O5/c1-12-15(13-5-3-2-4-6-13)26-18(25)21(12)16(22)14-11-19(14)7-9-20(10-8-19)17(23)24/h2-6,12,14-15H,7-11H2,1H3,(H,23,24)/t12-,14-,15-/m1/s1
InChIKeyQYPVDMDFGLLEGG-BPLDGKMQSA-N
XLogP2.88
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylic acid?
The IUPAC name of (2S)-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylic acid (CID 129116017) is (2S)-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylic acid.
What is the SMILES notation for (2S)-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylic acid?
The canonical SMILES for (2S)-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylic acid is C[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@H]1CC12CCN(C(=O)O)CC2.
What is the InChIKey of (2S)-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylic acid?
The InChIKey is QYPVDMDFGLLEGG-BPLDGKMQSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-12-15(13-5-3-2-4-6-13)26-18(25)21(12)16(22)14-11-19(14)7-9-20(10-8-19)17(23)24/h2-6,12,14-15H,7-11H2,1H3,(H,23,24)/t12-,14-,15-/m1/s1.
What are the key properties of (2S)-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylic acid?
(2S)-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylic acid has a molecular weight of 358.39 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylic acid is sourced from PubChem (CID 129116017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).