1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid

C15H24N2O5 — CID 18526034

IUPAC1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(N2CC(C(=O)O)CC2=O)CC1
InChIInChI=1S/C15H24N2O5/c1-15(2,3)22-14(21)16-6-4-11(5-7-16)17-9-10(13(19)20)8-12(17)18/h10-11H,4-9H2,1-3H3,(H,19,20)
InChIKeyKEMNWHGXIQXFNZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.32
Rot. Bonds2

About 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 18526034) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID18526034
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(N2CC(C(=O)O)CC2=O)CC1
InChIInChI=1S/C15H24N2O5/c1-15(2,3)22-14(21)16-6-4-11(5-7-16)17-9-10(13(19)20)8-12(17)18/h10-11H,4-9H2,1-3H3,(H,19,20)
InChIKeyKEMNWHGXIQXFNZ-UHFFFAOYSA-N
XLogP1.32
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(Tert-butoxy)carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 23079912
(2S,3S)-1-(tert-butoxycarbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 68713817
tert-butyl 4-[(4S)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 42544012
3-Fluoro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrolidine-3-carboxylic acid
CID 115053517
5-Oxo-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid
CID 165920668
1-[[4-Fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690412
1-[3-(4-Isopropylpiperazin-1-YL)-3-oxopropyl]-5-oxopyrrolidine-3-carboxylic acid
CID 50962989
5-Oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
CID 20556287
1-(1-Methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 42656792
1-(1-(Tert-butoxycarbonyl)pyrrolidin-3-YL)piperidine-4-carboxylic acid
CID 53413965
(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 67294153
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 67300540

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid (CID 18526034) is 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCC(N2CC(C(=O)O)CC2=O)CC1.
What is the InChIKey of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is KEMNWHGXIQXFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-15(2,3)22-14(21)16-6-4-11(5-7-16)17-9-10(13(19)20)8-12(17)18/h10-11H,4-9H2,1-3H3,(H,19,20).
What are the key properties of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid?
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 18526034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).