methyl (4S)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate

C10H16N2O4 — CID 51064068

IUPACmethyl (4S)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1COC(=O)N1C1CCNCC1
InChIInChI=1S/C10H16N2O4/c1-15-9(13)8-6-16-10(14)12(8)7-2-4-11-5-3-7/h7-8,11H,2-6H2,1H3/t8-/m0/s1
InChIKeyRHKSWSCCTGKOSY-QMMMGPOBSA-N
MW228.25 g/mol
LogP-0.27
Rot. Bonds2

About methyl (4S)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate

methyl (4S)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate (PubChem CID 51064068) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl (4S)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate
PubChem CID51064068
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Namemethyl (4S)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1COC(=O)N1C1CCNCC1
InChIInChI=1S/C10H16N2O4/c1-15-9(13)8-6-16-10(14)12(8)7-2-4-11-5-3-7/h7-8,11H,2-6H2,1H3/t8-/m0/s1
InChIKeyRHKSWSCCTGKOSY-QMMMGPOBSA-N
XLogP-0.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 3-(1-ethenoxycarbonylpiperidin-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3726554
Methyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3300387
Methyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 3766968
methyl (4S)-3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 74225230
Ethyl 4-((1-methoxy-2-methyl-1-oxopropan-2-yl)amino)piperidine-1-carboxylate
CID 43787109
(2S)-2-amino-3-[(2R)-2-methylpyrrolidine-1-carbonyl]oxypropanoic acid
CID 54230689
methyl (4R)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate
CID 59534397
4-Methyl-3-piperidin-4-yl-1,3-oxazolidin-2-one
CID 60016606
Methyl 2-[butoxycarbonyl(piperidin-4-yl)amino]acetate;hydrochloride
CID 67763001
(4S)-4-methyl-3-(4-piperidinyl)-1,3-oxazolidin-2-one
CID 68496822
(4R)-4-methyl-3-(4-piperidinyl)-1,3-oxazolidin-2-one
CID 68502660
Methyl 2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate
CID 75611581

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4S)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate (CID 51064068) is methyl (4S)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4S)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate is COC(=O)[C@@H]1COC(=O)N1C1CCNCC1.
What is the InChIKey of methyl (4S)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate?
The InChIKey is RHKSWSCCTGKOSY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-15-9(13)8-6-16-10(14)12(8)7-2-4-11-5-3-7/h7-8,11H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of methyl (4S)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate?
methyl (4S)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate has a molecular weight of 228.25 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 51064068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).