3-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]propanoic acid

C8H14N2O4 — CID 60987224

IUPAC3-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]propanoic acid
SMILESCN(CCC(=O)O)CC1CNC(=O)O1
InChIInChI=1S/C8H14N2O4/c1-10(3-2-7(11)12)5-6-4-9-8(13)14-6/h6H,2-5H2,1H3,(H,9,13)(H,11,12)
InChIKeyQEINCHDOSRFJPE-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.50
Rot. Bonds5

About 3-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]propanoic acid

3-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]propanoic acid (PubChem CID 60987224) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]propanoic acid
PubChem CID60987224
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name3-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]propanoic acid
SMILESCN(CCC(=O)O)CC1CNC(=O)O1
InChIInChI=1S/C8H14N2O4/c1-10(3-2-7(11)12)5-6-4-9-8(13)14-6/h6H,2-5H2,1H3,(H,9,13)(H,11,12)
InChIKeyQEINCHDOSRFJPE-UHFFFAOYSA-N
XLogP-0.50
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]propanoic acid (CID 60987224) is 3-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]propanoic acid is CN(CCC(=O)O)CC1CNC(=O)O1.
What is the InChIKey of 3-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]propanoic acid?
The InChIKey is QEINCHDOSRFJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-10(3-2-7(11)12)5-6-4-9-8(13)14-6/h6H,2-5H2,1H3,(H,9,13)(H,11,12).
What are the key properties of 3-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]propanoic acid?
3-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]propanoic acid has a molecular weight of 202.21 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 60987224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).