3-[[(4S)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid

C11H18N2O5 — CID 50851533

IUPAC3-[[(4S)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid
SMILESCC(C)CN1C(=O)OC[C@H]1C(=O)NCCC(=O)O
InChIInChI=1S/C11H18N2O5/c1-7(2)5-13-8(6-18-11(13)17)10(16)12-4-3-9(14)15/h7-8H,3-6H2,1-2H3,(H,12,16)(H,14,15)/t8-/m0/s1
InChIKeyJLKNLARJUQDVMH-QMMMGPOBSA-N
MW258.27 g/mol
LogP0.05
Rot. Bonds6

About 3-[[(4S)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid

3-[[(4S)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid (PubChem CID 50851533) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-[[(4S)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(4S)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid
PubChem CID50851533
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name3-[[(4S)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid
SMILESCC(C)CN1C(=O)OC[C@H]1C(=O)NCCC(=O)O
InChIInChI=1S/C11H18N2O5/c1-7(2)5-13-8(6-18-11(13)17)10(16)12-4-3-9(14)15/h7-8H,3-6H2,1-2H3,(H,12,16)(H,14,15)/t8-/m0/s1
InChIKeyJLKNLARJUQDVMH-QMMMGPOBSA-N
XLogP0.05
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4S)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[(4S)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid (CID 50851533) is 3-[[(4S)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(4S)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[(4S)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid is CC(C)CN1C(=O)OC[C@H]1C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[(4S)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid?
The InChIKey is JLKNLARJUQDVMH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-7(2)5-13-8(6-18-11(13)17)10(16)12-4-3-9(14)15/h7-8H,3-6H2,1-2H3,(H,12,16)(H,14,15)/t8-/m0/s1.
What are the key properties of 3-[[(4S)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid?
3-[[(4S)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid has a molecular weight of 258.27 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4S)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 50851533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).