methyl (2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylate

C15H25NO6 — CID 10805271

IUPACmethyl (2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)CCCC(=O)N1[C@H](C(=O)OC)CO[C@@H]1C(C)(C)C
InChIInChI=1S/C15H25NO6/c1-15(2,3)14-16(10(9-22-14)13(19)21-5)11(17)7-6-8-12(18)20-4/h10,14H,6-9H2,1-5H3/t10-,14+/m0/s1
InChIKeyCZBMNWHOCFDMPV-IINYFYTJSA-N
MW315.37 g/mol
LogP1.10
Rot. Bonds5

About methyl (2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylate

methyl (2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylate (PubChem CID 10805271) has the molecular formula C15H25NO6 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl (2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylate
PubChem CID10805271
Molecular FormulaC15H25NO6
Molecular Weight315.37 g/mol
Exact Mass315.17
IUPAC Namemethyl (2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)CCCC(=O)N1[C@H](C(=O)OC)CO[C@@H]1C(C)(C)C
InChIInChI=1S/C15H25NO6/c1-15(2,3)14-16(10(9-22-14)13(19)21-5)11(17)7-6-8-12(18)20-4/h10,14H,6-9H2,1-5H3/t10-,14+/m0/s1
InChIKeyCZBMNWHOCFDMPV-IINYFYTJSA-N
XLogP1.10
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-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

(2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylic acid
CID 10518387
3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
CID 70948298
methyl (4S)-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate
CID 45038525
methyl (2R,4S)-2-tert-butyl-3-[(2R)-2-chloro-2-phenylacetyl]-1,3-oxazolidine-4-carboxylate
CID 10759552
(2R,4S)-2-tert-butyl-3-(2-phenylacetyl)-1,3-oxazolidine-4-carboxylic acid
CID 10851122
dimethyl pentanedioate;hydrochloride
CID 175168861
5-[2-(hydroxymethyl)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]-5-oxopentanoic acid
CID 70053709
3-O-tert-butyl 4-O-propan-2-yl (2S,4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
CID 155185679
3-O-tert-butyl 4-O-propan-2-yl (2S,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
CID 164784727
methyl 5,5-dihydroxyheptanoate
CID 174405029
methyl 5-[(3R,5R)-3-methyl-5-phenylmorpholin-4-yl]-5-oxopentanoate
CID 124890114
methyl 6-(oxiran-2-yl)hexanoate
CID 71401806

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylate (CID 10805271) is methyl (2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylate is COC(=O)CCCC(=O)N1[C@H](C(=O)OC)CO[C@@H]1C(C)(C)C.
What is the InChIKey of methyl (2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylate?
The InChIKey is CZBMNWHOCFDMPV-IINYFYTJSA-N. The full InChI is InChI=1S/C15H25NO6/c1-15(2,3)14-16(10(9-22-14)13(19)21-5)11(17)7-6-8-12(18)20-4/h10,14H,6-9H2,1-5H3/t10-,14+/m0/s1.
What are the key properties of methyl (2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylate?
methyl (2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 10805271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).