methyl (2R)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate

C15H23N3O5 — CID 134796279

IUPACmethyl (2R)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@@H]1C(=O)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C15H23N3O5/c1-22-14(20)18-6-2-3-12(18)13(19)16-7-4-11(5-8-16)17-9-10-23-15(17)21/h11-12H,2-10H2,1H3/t12-/m1/s1
InChIKeyHURNAHAXUUKKTO-GFCCVEGCSA-N
MW325.37 g/mol
LogP0.66
Rot. Bonds2

About methyl (2R)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate

methyl (2R)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate (PubChem CID 134796279) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is methyl (2R)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate
PubChem CID134796279
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Namemethyl (2R)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@@H]1C(=O)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C15H23N3O5/c1-22-14(20)18-6-2-3-12(18)13(19)16-7-4-11(5-8-16)17-9-10-23-15(17)21/h11-12H,2-10H2,1H3/t12-/m1/s1
InChIKeyHURNAHAXUUKKTO-GFCCVEGCSA-N
XLogP0.66
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-(1-isopropyl-5-oxoprolyl)piperazine-1-carboxylate
CID 3240412
1-Morpholin-4-yl-4-[(S)-2-(pyrrolidine-1-carbonyl)-pyrrolidin-1-yl]-butane-1,4-dione
CID 11348314
3-[1-[(2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134796633
3-[1-[(2R)-1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134797558
3-[1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134797988
(2R)-N,N-dimethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 134798886
3-[1-[(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134798980
3-[1-[(2R)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134799018
tert-Butyl (2S,4S)-4-Fluoro-2-(morpholin-4-ylcarbonyl)pyrrolidine-1-carboxylate
CID 58006813
2,2,2-Trifluoroethyl 2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 63091233
tert-butyl (2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 165934144
2-(2,5-dimethylpyrrolidin-1-yl)-1-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 167885833

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate?
The IUPAC name of methyl (2R)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate (CID 134796279) is methyl (2R)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl (2R)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate is COC(=O)N1CCC[C@@H]1C(=O)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of methyl (2R)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate?
The InChIKey is HURNAHAXUUKKTO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-22-14(20)18-6-2-3-12(18)13(19)16-7-4-11(5-8-16)17-9-10-23-15(17)21/h11-12H,2-10H2,1H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate?
methyl (2R)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 134796279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).