2-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid

C13H23NO5 — CID 134916696

IUPAC2-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid
SMILESC[C@@H]1[C@H](CC(=O)O)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-8-9(7-10(15)16)18-13(5,6)14(8)11(17)19-12(2,3)4/h8-9H,7H2,1-6H3,(H,15,16)/t8-,9+/m1/s1
InChIKeyRBMDCRCXBBTHFB-BDAKNGLRSA-N
MW273.33 g/mol
LogP2.22
Rot. Bonds2

About 2-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid

2-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid (PubChem CID 134916696) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid
PubChem CID134916696
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid
SMILESC[C@@H]1[C@H](CC(=O)O)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-8-9(7-10(15)16)18-13(5,6)14(8)11(17)19-12(2,3)4/h8-9H,7H2,1-6H3,(H,15,16)/t8-,9+/m1/s1
InChIKeyRBMDCRCXBBTHFB-BDAKNGLRSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid?
The IUPAC name of 2-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid (CID 134916696) is 2-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid is C[C@@H]1[C@H](CC(=O)O)OC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of 2-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid?
The InChIKey is RBMDCRCXBBTHFB-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H23NO5/c1-8-9(7-10(15)16)18-13(5,6)14(8)11(17)19-12(2,3)4/h8-9H,7H2,1-6H3,(H,15,16)/t8-,9+/m1/s1.
What are the key properties of 2-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid?
2-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid is sourced from PubChem (CID 134916696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).