(2S)-2-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid

C13H23NO5 — CID 11265769

IUPAC(2S)-2-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid
SMILESC[C@H](C(=O)O)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)O1
InChIInChI=1S/C13H23NO5/c1-8(10(15)16)9-7-14(13(5,6)18-9)11(17)19-12(2,3)4/h8-9H,7H2,1-6H3,(H,15,16)/t8-,9-/m0/s1
InChIKeyBUBQGVUNEZYKSP-IUCAKERBSA-N
MW273.33 g/mol
LogP2.08
Rot. Bonds2

About (2S)-2-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid

(2S)-2-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid (PubChem CID 11265769) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2S)-2-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid
PubChem CID11265769
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name(2S)-2-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid
SMILESC[C@H](C(=O)O)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)O1
InChIInChI=1S/C13H23NO5/c1-8(10(15)16)9-7-14(13(5,6)18-9)11(17)19-12(2,3)4/h8-9H,7H2,1-6H3,(H,15,16)/t8-,9-/m0/s1
InChIKeyBUBQGVUNEZYKSP-IUCAKERBSA-N
XLogP2.08
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid?
The IUPAC name of (2S)-2-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid (CID 11265769) is (2S)-2-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid is C[C@H](C(=O)O)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)O1.
What is the InChIKey of (2S)-2-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid?
The InChIKey is BUBQGVUNEZYKSP-IUCAKERBSA-N. The full InChI is InChI=1S/C13H23NO5/c1-8(10(15)16)9-7-14(13(5,6)18-9)11(17)19-12(2,3)4/h8-9H,7H2,1-6H3,(H,15,16)/t8-,9-/m0/s1.
What are the key properties of (2S)-2-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid?
(2S)-2-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid has a molecular weight of 273.33 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid is sourced from PubChem (CID 11265769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).