2-[(3R)-3-methyl-1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-3-yl]acetic acid

C20H34N2O5 — CID 54269284

IUPAC2-[(3R)-3-methyl-1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCN2CCC[C@](C)(CC(=O)O)C2=O)CC1
InChIInChI=1S/C20H34N2O5/c1-19(2,3)27-18(26)22-12-7-15(8-13-22)6-11-21-10-5-9-20(4,17(21)25)14-16(23)24/h15H,5-14H2,1-4H3,(H,23,24)/t20-/m1/s1
InChIKeyRIZZTJRVBWIKPW-HXUWFJFHSA-N
MW382.50 g/mol
LogP3.13
Rot. Bonds5

About 2-[(3R)-3-methyl-1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-3-yl]acetic acid

2-[(3R)-3-methyl-1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-3-yl]acetic acid (PubChem CID 54269284) has the molecular formula C20H34N2O5 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[(3R)-3-methyl-1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-methyl-1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-3-yl]acetic acid
PubChem CID54269284
Molecular FormulaC20H34N2O5
Molecular Weight382.50 g/mol
Exact Mass382.25
IUPAC Name2-[(3R)-3-methyl-1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCN2CCC[C@](C)(CC(=O)O)C2=O)CC1
InChIInChI=1S/C20H34N2O5/c1-19(2,3)27-18(26)22-12-7-15(8-13-22)6-11-21-10-5-9-20(4,17(21)25)14-16(23)24/h15H,5-14H2,1-4H3,(H,23,24)/t20-/m1/s1
InChIKeyRIZZTJRVBWIKPW-HXUWFJFHSA-N
XLogP3.13
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3R)-3-methyl-1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-3-yl]acetic acid with MolForge

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Related Compounds

tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate
CID 68532182
tert-butyl 4-[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate
CID 100637047
tert-butyl 4-[2-(5-methyl-2-oxoimidazolidin-1-yl)ethyl]piperidine-1-carboxylate
CID 67714075
tert-butyl 4-[2-(2,4,5-trimethylimidazol-1-yl)ethyl]piperidine-1-carboxylate
CID 23084142
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]acetic acid
CID 53302291
tert-butyl 4-[[(1-methylcyclopentyl)methylamino]methyl]piperidine-1-carboxylate
CID 103730249
(3R)-3-[[2-[(3R)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-1-yl]acetyl]amino]butanoic acid
CID 10004062
tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate
CID 10335583
tert-butyl 4-[(2,3-dioxopiperazin-1-yl)methyl]piperidine-1-carboxylate
CID 83290488
tert-butyl 4-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate
CID 168655844
tert-butyl 4-[[(1-methylcyclopropyl)methylamino]methyl]piperidine-1-carboxylate
CID 103766065
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methyl-1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-3-methyl-1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-3-yl]acetic acid (CID 54269284) is 2-[(3R)-3-methyl-1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-methyl-1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-3-methyl-1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-3-yl]acetic acid is CC(C)(C)OC(=O)N1CCC(CCN2CCC[C@](C)(CC(=O)O)C2=O)CC1.
What is the InChIKey of 2-[(3R)-3-methyl-1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-3-yl]acetic acid?
The InChIKey is RIZZTJRVBWIKPW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H34N2O5/c1-19(2,3)27-18(26)22-12-7-15(8-13-22)6-11-21-10-5-9-20(4,17(21)25)14-16(23)24/h15H,5-14H2,1-4H3,(H,23,24)/t20-/m1/s1.
What are the key properties of 2-[(3R)-3-methyl-1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-3-yl]acetic acid?
2-[(3R)-3-methyl-1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-3-yl]acetic acid has a molecular weight of 382.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methyl-1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-3-yl]acetic acid is sourced from PubChem (CID 54269284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).