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

C15H24N2O5 — CID 155345054

IUPAC1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(N2CCC(C(=O)O)C2=O)CC1
InChIInChI=1S/C15H24N2O5/c1-15(2,3)22-14(21)16-7-4-10(5-8-16)17-9-6-11(12(17)18)13(19)20/h10-11H,4-9H2,1-3H3,(H,19,20)
InChIKeyCDUNGBUBOZTMLM-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.32
Rot. Bonds2

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

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyrrolidine-3-carboxylic acid (PubChem CID 155345054) 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]-2-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyrrolidine-3-carboxylic acid
PubChem CID155345054
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(N2CCC(C(=O)O)C2=O)CC1
InChIInChI=1S/C15H24N2O5/c1-15(2,3)22-14(21)16-7-4-10(5-8-16)17-9-6-11(12(17)18)13(19)20/h10-11H,4-9H2,1-3H3,(H,19,20)
InChIKeyCDUNGBUBOZTMLM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[1-(tert-Butoxycarbonyl)-4-piperidinyl]-5-oxo-3-pyrrolidinecarboxylic acid
CID 18526034
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
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
1-[2-Iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 68982495
Cis-1-(tert-butoxycarbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 97048212
(2S,3R)-1-tert-butoxycarbonyl-2-methyl-pyrrolidine-3-carboxylic acid
CID 97048213

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyrrolidine-3-carboxylic acid (CID 155345054) is 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyrrolidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCC(N2CCC(C(=O)O)C2=O)CC1.
What is the InChIKey of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyrrolidine-3-carboxylic acid?
The InChIKey is CDUNGBUBOZTMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-15(2,3)22-14(21)16-7-4-10(5-8-16)17-9-6-11(12(17)18)13(19)20/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]-2-oxopyrrolidine-3-carboxylic acid?
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-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]-2-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 155345054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).