ethyl 2-(2,3-dimethyl-1,3-oxazolidin-2-yl)acetate

C9H17NO3 — CID 567753

IUPACethyl 2-(2,3-dimethyl-1,3-oxazolidin-2-yl)acetate
SMILESCCOC(=O)CC1(C)OCCN1C
InChIInChI=1S/C9H17NO3/c1-4-12-8(11)7-9(2)10(3)5-6-13-9/h4-7H2,1-3H3
InChIKeyLHMAYZXPKWADAJ-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.62
Rot. Bonds3

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

ethyl 2-(2,3-dimethyl-1,3-oxazolidin-2-yl)acetate (PubChem CID 567753) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 2-(2,3-dimethyl-1,3-oxazolidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dimethyl-1,3-oxazolidin-2-yl)acetate
PubChem CID567753
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 2-(2,3-dimethyl-1,3-oxazolidin-2-yl)acetate
SMILESCCOC(=O)CC1(C)OCCN1C
InChIInChI=1S/C9H17NO3/c1-4-12-8(11)7-9(2)10(3)5-6-13-9/h4-7H2,1-3H3
InChIKeyLHMAYZXPKWADAJ-UHFFFAOYSA-N
XLogP0.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-methyl-1,3-oxazolidine-2-acetate
CID 565864
2-(Pyrrolidin-1-yl)ethyl 3-oxobutanoate
CID 12529171
Methyl 3-(1-methylpyrrolidin-3-yl)oxypropanoate
CID 84051001
methyl 3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate
CID 162750408
methyl 3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate
CID 169177647
methyl (4R,5R)-2,2,3,5-tetramethyl-1,3-oxazolidine-4-carboxylate
CID 170288420
methyl 3-[(3S)-1-methylpyrrolidin-3-yl]oxypropanoate
CID 170367978
2-[1-(2-Ethyl-2-methyl-1,3-oxazolidin-3-yl)ethyl]propanedioic acid
CID 175359057
methyl 3-[(3R)-1-methylpyrrolidin-3-yl]oxypropanoate
CID 178108094
Ethyl 2-(3,4,4-trimethyl-1,3-oxazolidin-2-yl)acetate
CID 15371822
Butyl 3-(1,3-oxazolidin-3-yl)propanoate
CID 71328697
Methyl 3-[methyl(oxolan-3-yl)amino]butanoate
CID 82739392

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dimethyl-1,3-oxazolidin-2-yl)acetate?
The IUPAC name of ethyl 2-(2,3-dimethyl-1,3-oxazolidin-2-yl)acetate (CID 567753) is ethyl 2-(2,3-dimethyl-1,3-oxazolidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(2,3-dimethyl-1,3-oxazolidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(2,3-dimethyl-1,3-oxazolidin-2-yl)acetate is CCOC(=O)CC1(C)OCCN1C.
What is the InChIKey of ethyl 2-(2,3-dimethyl-1,3-oxazolidin-2-yl)acetate?
The InChIKey is LHMAYZXPKWADAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-12-8(11)7-9(2)10(3)5-6-13-9/h4-7H2,1-3H3.
What are the key properties of ethyl 2-(2,3-dimethyl-1,3-oxazolidin-2-yl)acetate?
ethyl 2-(2,3-dimethyl-1,3-oxazolidin-2-yl)acetate has a molecular weight of 187.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dimethyl-1,3-oxazolidin-2-yl)acetate is sourced from PubChem (CID 567753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).