ethyl 2-(3,4,4-trimethyl-1,3-oxazolidin-2-yl)acetate

C10H19NO3 — CID 15371822

IUPACethyl 2-(3,4,4-trimethyl-1,3-oxazolidin-2-yl)acetate
SMILESCCOC(=O)CC1OCC(C)(C)N1C
InChIInChI=1S/C10H19NO3/c1-5-13-9(12)6-8-11(4)10(2,3)7-14-8/h8H,5-7H2,1-4H3
InChIKeyJUHLNWXDIQDPCG-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.01
Rot. Bonds3

About ethyl 2-(3,4,4-trimethyl-1,3-oxazolidin-2-yl)acetate

ethyl 2-(3,4,4-trimethyl-1,3-oxazolidin-2-yl)acetate (PubChem CID 15371822) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 2-(3,4,4-trimethyl-1,3-oxazolidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,4,4-trimethyl-1,3-oxazolidin-2-yl)acetate
PubChem CID15371822
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 2-(3,4,4-trimethyl-1,3-oxazolidin-2-yl)acetate
SMILESCCOC(=O)CC1OCC(C)(C)N1C
InChIInChI=1S/C10H19NO3/c1-5-13-9(12)6-8-11(4)10(2,3)7-14-8/h8H,5-7H2,1-4H3
InChIKeyJUHLNWXDIQDPCG-UHFFFAOYSA-N
XLogP1.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2,2-dimethylpropanoate
CID 294819
Ethyl 2,3-dimethyl-1,3-oxazolidine-2-acetate
CID 567753
methyl (2R,4S)-3,4-dimethyl-2-propan-2-yl-1,3-oxazolidine-4-carboxylate
CID 57721407
Methyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate
CID 58152808
methyl 3-[(3R)-3-methyl-1,3-oxazolidin-3-ium-3-yl]propanoate
CID 122518924
2-Pyrrolidin-1-ylethyl 3-methoxypropanoate
CID 122692318
Methane;methyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate
CID 159485118
methyl 3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate
CID 162750408
methyl 3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate
CID 169177647
tert-butyl (4S)-3-tert-butyl-1,3-oxazolidine-4-carboxylate
CID 170524626
Butyl 3-(1,3-oxazolidin-3-yl)propanoate
CID 71328697
Methyl 3-(3-methoxy-3-oxopropyl)-1,3-oxazolidine-4-carboxylate
CID 131844719

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4,4-trimethyl-1,3-oxazolidin-2-yl)acetate?
The IUPAC name of ethyl 2-(3,4,4-trimethyl-1,3-oxazolidin-2-yl)acetate (CID 15371822) is ethyl 2-(3,4,4-trimethyl-1,3-oxazolidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3,4,4-trimethyl-1,3-oxazolidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(3,4,4-trimethyl-1,3-oxazolidin-2-yl)acetate is CCOC(=O)CC1OCC(C)(C)N1C.
What is the InChIKey of ethyl 2-(3,4,4-trimethyl-1,3-oxazolidin-2-yl)acetate?
The InChIKey is JUHLNWXDIQDPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-13-9(12)6-8-11(4)10(2,3)7-14-8/h8H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(3,4,4-trimethyl-1,3-oxazolidin-2-yl)acetate?
ethyl 2-(3,4,4-trimethyl-1,3-oxazolidin-2-yl)acetate has a molecular weight of 201.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4,4-trimethyl-1,3-oxazolidin-2-yl)acetate is sourced from PubChem (CID 15371822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).