methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate

C14H24N2O3 — CID 124813786

IUPACmethyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1CC(=O)N1CCCC[C@H]1C
InChIInChI=1S/C14H24N2O3/c1-11-6-3-4-9-16(11)13(17)10-15-8-5-7-12(15)14(18)19-2/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyJPXDXEXMPJUMFB-NEPJUHHUSA-N
MW268.36 g/mol
LogP1.02
Rot. Bonds3

About methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate

methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 124813786) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID124813786
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namemethyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1CC(=O)N1CCCC[C@H]1C
InChIInChI=1S/C14H24N2O3/c1-11-6-3-4-9-16(11)13(17)10-15-8-5-7-12(15)14(18)19-2/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyJPXDXEXMPJUMFB-NEPJUHHUSA-N
XLogP1.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate
CID 115280662
methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 115371331
3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid
CID 107072049
2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 63249850
methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 115279176
methyl 1-[2-(cyanomethylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027282
methyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate
CID 81002268
1-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 127272562
methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027276
methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79834067
methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79835554
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate (CID 124813786) is methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1CC(=O)N1CCCC[C@H]1C.
What is the InChIKey of methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is JPXDXEXMPJUMFB-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11-6-3-4-9-16(11)13(17)10-15-8-5-7-12(15)14(18)19-2/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate?
methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 124813786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).