methyl 2-[(2R,4R)-2-tert-butyl-3-(2-methoxy-2-oxoethyl)-4-methyl-1,3-oxazolidin-4-yl]acetate

C14H25NO5 — CID 70997189

IUPACmethyl 2-[(2R,4R)-2-tert-butyl-3-(2-methoxy-2-oxoethyl)-4-methyl-1,3-oxazolidin-4-yl]acetate
SMILESCOC(=O)CN1[C@@H](C(C)(C)C)OC[C@@]1(C)CC(=O)OC
InChIInChI=1S/C14H25NO5/c1-13(2,3)12-15(8-11(17)19-6)14(4,9-20-12)7-10(16)18-5/h12H,7-9H2,1-6H3/t12-,14-/m1/s1
InChIKeyDBECFNIJIMMCRC-TZMCWYRMSA-N
MW287.36 g/mol
LogP1.19
Rot. Bonds4

About methyl 2-[(2R,4R)-2-tert-butyl-3-(2-methoxy-2-oxoethyl)-4-methyl-1,3-oxazolidin-4-yl]acetate

methyl 2-[(2R,4R)-2-tert-butyl-3-(2-methoxy-2-oxoethyl)-4-methyl-1,3-oxazolidin-4-yl]acetate (PubChem CID 70997189) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 2-[(2R,4R)-2-tert-butyl-3-(2-methoxy-2-oxoethyl)-4-methyl-1,3-oxazolidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,4R)-2-tert-butyl-3-(2-methoxy-2-oxoethyl)-4-methyl-1,3-oxazolidin-4-yl]acetate
PubChem CID70997189
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Namemethyl 2-[(2R,4R)-2-tert-butyl-3-(2-methoxy-2-oxoethyl)-4-methyl-1,3-oxazolidin-4-yl]acetate
SMILESCOC(=O)CN1[C@@H](C(C)(C)C)OC[C@@]1(C)CC(=O)OC
InChIInChI=1S/C14H25NO5/c1-13(2,3)12-15(8-11(17)19-6)14(4,9-20-12)7-10(16)18-5/h12H,7-9H2,1-6H3/t12-,14-/m1/s1
InChIKeyDBECFNIJIMMCRC-TZMCWYRMSA-N
XLogP1.19
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2R,4R)-2-tert-butyl-3-(2-methoxy-2-oxoethyl)-4-methyl-1,3-oxazolidin-4-yl]acetate with MolForge

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Related Compounds

Ethyl 3-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2,2-dimethylpropanoate
CID 294819
methyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate
CID 134919429
methyl (2R,4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate
CID 101924407
4-Tert-butyl-2-methyl-3-propan-2-yl-1,3-oxazolidin-5-one
CID 23573149
2-[(2R,4R)-2-tert-butyl-3-formyl-4-methyl-1,3-oxazolidin-4-yl]acetic acid
CID 53860479
1-O-tert-butyl 4-O-ethyl 2-pyrrolidin-1-ylbutanedioate
CID 57080783
(4S)-4-tert-butyl-2-methyl-3-propan-2-yl-1,3-oxazolidin-5-one
CID 58632955
1-O-tert-butyl 4-O-ethyl (2S)-2-pyrrolidin-1-ylbutanedioate
CID 70429777
methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-propan-2-yl-1,3-oxazolidin-4-yl]acetate
CID 70997180
methyl 2-[(2R,4R)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-pentan-3-yl-1,3-oxazolidin-4-yl]acetate
CID 70997229
Methyl 2-(2,3-dimethyl-5-oxo-1,3-oxazolidin-4-yl)acetate
CID 169911814
diethyl (2S)-2-pyrrolidin-1-ylbutanedioate
CID 7060753

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,4R)-2-tert-butyl-3-(2-methoxy-2-oxoethyl)-4-methyl-1,3-oxazolidin-4-yl]acetate?
The IUPAC name of methyl 2-[(2R,4R)-2-tert-butyl-3-(2-methoxy-2-oxoethyl)-4-methyl-1,3-oxazolidin-4-yl]acetate (CID 70997189) is methyl 2-[(2R,4R)-2-tert-butyl-3-(2-methoxy-2-oxoethyl)-4-methyl-1,3-oxazolidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,4R)-2-tert-butyl-3-(2-methoxy-2-oxoethyl)-4-methyl-1,3-oxazolidin-4-yl]acetate?
The canonical SMILES for methyl 2-[(2R,4R)-2-tert-butyl-3-(2-methoxy-2-oxoethyl)-4-methyl-1,3-oxazolidin-4-yl]acetate is COC(=O)CN1[C@@H](C(C)(C)C)OC[C@@]1(C)CC(=O)OC.
What is the InChIKey of methyl 2-[(2R,4R)-2-tert-butyl-3-(2-methoxy-2-oxoethyl)-4-methyl-1,3-oxazolidin-4-yl]acetate?
The InChIKey is DBECFNIJIMMCRC-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H25NO5/c1-13(2,3)12-15(8-11(17)19-6)14(4,9-20-12)7-10(16)18-5/h12H,7-9H2,1-6H3/t12-,14-/m1/s1.
What are the key properties of methyl 2-[(2R,4R)-2-tert-butyl-3-(2-methoxy-2-oxoethyl)-4-methyl-1,3-oxazolidin-4-yl]acetate?
methyl 2-[(2R,4R)-2-tert-butyl-3-(2-methoxy-2-oxoethyl)-4-methyl-1,3-oxazolidin-4-yl]acetate has a molecular weight of 287.36 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,4R)-2-tert-butyl-3-(2-methoxy-2-oxoethyl)-4-methyl-1,3-oxazolidin-4-yl]acetate is sourced from PubChem (CID 70997189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).