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

C10H15NO6 — CID 11622884

IUPAC2-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1COC(=O)[C@@H]1CC(=O)O
InChIInChI=1S/C10H15NO6/c1-10(2,3)17-9(15)11-5-16-8(14)6(11)4-7(12)13/h6H,4-5H2,1-3H3,(H,12,13)/t6-/m0/s1
InChIKeyVZRAHLNJZPNFPB-LURJTMIESA-N
MW245.23 g/mol
LogP0.58
Rot. Bonds2

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

2-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]acetic acid (PubChem CID 11622884) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]acetic acid
PubChem CID11622884
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name2-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1COC(=O)[C@@H]1CC(=O)O
InChIInChI=1S/C10H15NO6/c1-10(2,3)17-9(15)11-5-16-8(14)6(11)4-7(12)13/h6H,4-5H2,1-3H3,(H,12,13)/t6-/m0/s1
InChIKeyVZRAHLNJZPNFPB-LURJTMIESA-N
XLogP0.58
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]acetic acid?
The IUPAC name of 2-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]acetic acid (CID 11622884) is 2-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]acetic acid is CC(C)(C)OC(=O)N1COC(=O)[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]acetic acid?
The InChIKey is VZRAHLNJZPNFPB-LURJTMIESA-N. The full InChI is InChI=1S/C10H15NO6/c1-10(2,3)17-9(15)11-5-16-8(14)6(11)4-7(12)13/h6H,4-5H2,1-3H3,(H,12,13)/t6-/m0/s1.
What are the key properties of 2-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]acetic acid?
2-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]acetic acid has a molecular weight of 245.23 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]acetic acid is sourced from PubChem (CID 11622884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).