(4,4-dimethyl-1,3-oxazolidin-2-yl) propanoate

C8H15NO3 — CID 139301428

IUPAC(4,4-dimethyl-1,3-oxazolidin-2-yl) propanoate
SMILESCCC(=O)OC1NC(C)(C)CO1
InChIInChI=1S/C8H15NO3/c1-4-6(10)12-7-9-8(2,3)5-11-7/h7,9H,4-5H2,1-3H3
InChIKeyBQYXMBOVMGHTEW-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.62
Rot. Bonds2

About (4,4-dimethyl-1,3-oxazolidin-2-yl) propanoate

(4,4-dimethyl-1,3-oxazolidin-2-yl) propanoate (PubChem CID 139301428) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (4,4-dimethyl-1,3-oxazolidin-2-yl) propanoate.

Molecular Properties

Compound Name(4,4-dimethyl-1,3-oxazolidin-2-yl) propanoate
PubChem CID139301428
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(4,4-dimethyl-1,3-oxazolidin-2-yl) propanoate
SMILESCCC(=O)OC1NC(C)(C)CO1
InChIInChI=1S/C8H15NO3/c1-4-6(10)12-7-9-8(2,3)5-11-7/h7,9H,4-5H2,1-3H3
InChIKeyBQYXMBOVMGHTEW-UHFFFAOYSA-N
XLogP0.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(4,4-dimethyl-1,3-oxazolidin-2-yl) (E)-but-2-enedioate
CID 139301451
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(3,3-dimethylcyclohexyl) propanoate
CID 12653241
(2R)-2-[(2S)-4,4-dimethyl-1,3-oxazolidin-2-yl]-4,4-dimethyl-1,3-oxazolidine
CID 139225415
[(2S,3R,5R,6R)-2,3,4,5,6-pentaacetyloxycyclohexyl] propanoate
CID 124851501
(4,4-difluoro-3-propanoyloxyoxolan-2-yl)methyl propanoate
CID 156755734
[3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate
CID 24885943
[(2S)-2-methyloxiran-2-yl]methyl propanoate
CID 100919091
[(2S,4R,5S)-2,5-di(propanoyloxy)oxan-4-yl] propanoate
CID 162450779
[(1R,2R,3S)-2,3,4,4-tetramethylcyclopentyl] propanoate
CID 67458091
[(3R,4S,5R,6R)-6-hydroxy-4,5-di(propanoyloxy)oxan-3-yl] propanoate
CID 137357258
(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl) propanoate
CID 87995473

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-1,3-oxazolidin-2-yl) propanoate?
The IUPAC name of (4,4-dimethyl-1,3-oxazolidin-2-yl) propanoate (CID 139301428) is (4,4-dimethyl-1,3-oxazolidin-2-yl) propanoate.
What is the SMILES notation for (4,4-dimethyl-1,3-oxazolidin-2-yl) propanoate?
The canonical SMILES for (4,4-dimethyl-1,3-oxazolidin-2-yl) propanoate is CCC(=O)OC1NC(C)(C)CO1.
What is the InChIKey of (4,4-dimethyl-1,3-oxazolidin-2-yl) propanoate?
The InChIKey is BQYXMBOVMGHTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-6(10)12-7-9-8(2,3)5-11-7/h7,9H,4-5H2,1-3H3.
What are the key properties of (4,4-dimethyl-1,3-oxazolidin-2-yl) propanoate?
(4,4-dimethyl-1,3-oxazolidin-2-yl) propanoate has a molecular weight of 173.21 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-1,3-oxazolidin-2-yl) propanoate is sourced from PubChem (CID 139301428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).