2,2-dimethylpropanoyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate

C14H25NO4 — CID 173091347

IUPAC2,2-dimethylpropanoyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
SMILESCC(C)(C)C(=O)OC(=O)C1CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C14H25NO4/c1-12(2,3)11(17)19-10(16)9-8-13(4,5)15(18)14(9,6)7/h9,18H,8H2,1-7H3
InChIKeyAQYQJMCQKLWBFF-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.37
Rot. Bonds1

About 2,2-dimethylpropanoyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate

2,2-dimethylpropanoyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate (PubChem CID 173091347) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2,2-dimethylpropanoyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name2,2-dimethylpropanoyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
PubChem CID173091347
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2,2-dimethylpropanoyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
SMILESCC(C)(C)C(=O)OC(=O)C1CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C14H25NO4/c1-12(2,3)11(17)19-10(16)9-8-13(4,5)15(18)14(9,6)7/h9,18H,8H2,1-7H3
InChIKeyAQYQJMCQKLWBFF-UHFFFAOYSA-N
XLogP2.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
CID 854503
7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 140895397
N,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
CID 173024529
methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 3367709
[3,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 138724462
3-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxypentyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 140895387
[2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-1-enyl] 2,2-dimethylpropanoate
CID 101386332
N-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
CID 54113282
tert-butyl N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 90701493
6-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 140895409
1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-ol
CID 551669
[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 140895326

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanoyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The IUPAC name of 2,2-dimethylpropanoyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate (CID 173091347) is 2,2-dimethylpropanoyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate.
What is the SMILES notation for 2,2-dimethylpropanoyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The canonical SMILES for 2,2-dimethylpropanoyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate is CC(C)(C)C(=O)OC(=O)C1CC(C)(C)N(O)C1(C)C.
What is the InChIKey of 2,2-dimethylpropanoyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The InChIKey is AQYQJMCQKLWBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-12(2,3)11(17)19-10(16)9-8-13(4,5)15(18)14(9,6)7/h9,18H,8H2,1-7H3.
What are the key properties of 2,2-dimethylpropanoyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
2,2-dimethylpropanoyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanoyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 173091347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).