ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoate

C10H18N2O4 — CID 60706719

IUPACethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoate
SMILESCCOC(=O)CCCNCC1CNC(=O)O1
InChIInChI=1S/C10H18N2O4/c1-2-15-9(13)4-3-5-11-6-8-7-12-10(14)16-8/h8,11H,2-7H2,1H3,(H,12,14)
InChIKeyJIOPKMDKFNKUKM-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.03
Rot. Bonds7

About ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoate

ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoate (PubChem CID 60706719) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoate
PubChem CID60706719
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nameethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoate
SMILESCCOC(=O)CCCNCC1CNC(=O)O1
InChIInChI=1S/C10H18N2O4/c1-2-15-9(13)4-3-5-11-6-8-7-12-10(14)16-8/h8,11H,2-7H2,1H3,(H,12,14)
InChIKeyJIOPKMDKFNKUKM-UHFFFAOYSA-N
XLogP0.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoate?
The IUPAC name of ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoate (CID 60706719) is ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoate.
What is the SMILES notation for ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoate?
The canonical SMILES for ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoate is CCOC(=O)CCCNCC1CNC(=O)O1.
What is the InChIKey of ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoate?
The InChIKey is JIOPKMDKFNKUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-15-9(13)4-3-5-11-6-8-7-12-10(14)16-8/h8,11H,2-7H2,1H3,(H,12,14).
What are the key properties of ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoate?
ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoate has a molecular weight of 230.26 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoate is sourced from PubChem (CID 60706719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).