ethyl 1,3-oxazolidine-2-carboxylate

C6H11NO3 — CID 118988997

IUPACethyl 1,3-oxazolidine-2-carboxylate
SMILESCCOC(=O)C1NCCO1
InChIInChI=1S/C6H11NO3/c1-2-9-6(8)5-7-3-4-10-5/h5,7H,2-4H2,1H3
InChIKeyFLJLNMMVNPNVMG-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.50
Rot. Bonds2

About ethyl 1,3-oxazolidine-2-carboxylate

ethyl 1,3-oxazolidine-2-carboxylate (PubChem CID 118988997) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is ethyl 1,3-oxazolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-oxazolidine-2-carboxylate
PubChem CID118988997
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameethyl 1,3-oxazolidine-2-carboxylate
SMILESCCOC(=O)C1NCCO1
InChIInChI=1S/C6H11NO3/c1-2-9-6(8)5-7-3-4-10-5/h5,7H,2-4H2,1H3
InChIKeyFLJLNMMVNPNVMG-UHFFFAOYSA-N
XLogP-0.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1,3-oxazolidine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Oxazolidine-2-carboxylic acid
CID 13419880
Oxycarbonyl-5-oxazolidinone
CID 19965520
Oxaproline
CID 54004467
Ethyl 2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate
CID 155198953
Trifluoromethyl 1,3-oxazolidine-2-carboxylate
CID 177001667
Tert-butyl 5-oxo-1,3-oxazolidine-2-carboxylate
CID 17880540
2-Ethyl-1,3-oxazolidin-5-one
CID 18801026
2-Methyl-1,3-oxazolidin-5-one
CID 19595572
(5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one
CID 20584755
Methyl 2-[2-(2-methoxy-2-oxoethoxy)ethylamino]acetate
CID 21363021
Methyl 2-methyloxazolidine-2-carboxylate
CID 45086649
(2R,5S)-5-methyl-1,3-oxazolidine-2-carboxylic acid
CID 53842554

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-oxazolidine-2-carboxylate?
The IUPAC name of ethyl 1,3-oxazolidine-2-carboxylate (CID 118988997) is ethyl 1,3-oxazolidine-2-carboxylate.
What is the SMILES notation for ethyl 1,3-oxazolidine-2-carboxylate?
The canonical SMILES for ethyl 1,3-oxazolidine-2-carboxylate is CCOC(=O)C1NCCO1.
What is the InChIKey of ethyl 1,3-oxazolidine-2-carboxylate?
The InChIKey is FLJLNMMVNPNVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-2-9-6(8)5-7-3-4-10-5/h5,7H,2-4H2,1H3.
What are the key properties of ethyl 1,3-oxazolidine-2-carboxylate?
ethyl 1,3-oxazolidine-2-carboxylate has a molecular weight of 145.16 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-oxazolidine-2-carboxylate is sourced from PubChem (CID 118988997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).