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

C7H12N2O4 — CID 43466758

IUPAC3-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]propanoic acid
SMILESO=C(O)CCNCC1CNC(=O)O1
InChIInChI=1S/C7H12N2O4/c10-6(11)1-2-8-3-5-4-9-7(12)13-5/h5,8H,1-4H2,(H,9,12)(H,10,11)
InChIKeyCHATYSAIKSPNKU-UHFFFAOYSA-N
MW188.18 g/mol
LogP-0.84
Rot. Bonds5

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

3-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]propanoic acid (PubChem CID 43466758) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 3-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]propanoic acid
PubChem CID43466758
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name3-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]propanoic acid
SMILESO=C(O)CCNCC1CNC(=O)O1
InChIInChI=1S/C7H12N2O4/c10-6(11)1-2-8-3-5-4-9-7(12)13-5/h5,8H,1-4H2,(H,9,12)(H,10,11)
InChIKeyCHATYSAIKSPNKU-UHFFFAOYSA-N
XLogP-0.84
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]propanoic acid?
The IUPAC name of 3-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]propanoic acid (CID 43466758) is 3-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]propanoic acid.
What is the SMILES notation for 3-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]propanoic acid?
The canonical SMILES for 3-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]propanoic acid is O=C(O)CCNCC1CNC(=O)O1.
What is the InChIKey of 3-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]propanoic acid?
The InChIKey is CHATYSAIKSPNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c10-6(11)1-2-8-3-5-4-9-7(12)13-5/h5,8H,1-4H2,(H,9,12)(H,10,11).
What are the key properties of 3-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]propanoic acid?
3-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]propanoic acid has a molecular weight of 188.18 g/mol, XLogP of -0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]propanoic acid is sourced from PubChem (CID 43466758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).