2-[(2-methylpropan-2-yl)oxy]ethyl 3-propan-2-ylpyrrolidine-3-carboxylate

C14H27NO3 — CID 106983595

IUPAC2-[(2-methylpropan-2-yl)oxy]ethyl 3-propan-2-ylpyrrolidine-3-carboxylate
SMILESCC(C)C1(C(=O)OCCOC(C)(C)C)CCNC1
InChIInChI=1S/C14H27NO3/c1-11(2)14(6-7-15-10-14)12(16)17-8-9-18-13(3,4)5/h11,15H,6-10H2,1-5H3
InChIKeyQBLGTBDUOPWZDW-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.98
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]ethyl 3-propan-2-ylpyrrolidine-3-carboxylate

2-[(2-methylpropan-2-yl)oxy]ethyl 3-propan-2-ylpyrrolidine-3-carboxylate (PubChem CID 106983595) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]ethyl 3-propan-2-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]ethyl 3-propan-2-ylpyrrolidine-3-carboxylate
PubChem CID106983595
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-[(2-methylpropan-2-yl)oxy]ethyl 3-propan-2-ylpyrrolidine-3-carboxylate
SMILESCC(C)C1(C(=O)OCCOC(C)(C)C)CCNC1
InChIInChI=1S/C14H27NO3/c1-11(2)14(6-7-15-10-14)12(16)17-8-9-18-13(3,4)5/h11,15H,6-10H2,1-5H3
InChIKeyQBLGTBDUOPWZDW-UHFFFAOYSA-N
XLogP1.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980333
2-[(2-methylpropan-2-yl)oxy]ethyl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 112588020
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
(3-chlorophenyl)methyl 3-propan-2-ylpyrrolidine-3-carboxylate
CID 106983587
N-(3,3-dimethylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981240
3-tert-butylsulfonyl-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one
CID 106982343
1-(3-propan-2-ylpyrrolidin-3-yl)-2-propoxyethanone
CID 106982213
3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 106980310
2-propan-2-yloxyethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 63710529
2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982172
3-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)but-3-en-1-one
CID 106982318
methyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate
CID 106980384

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl 3-propan-2-ylpyrrolidine-3-carboxylate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl 3-propan-2-ylpyrrolidine-3-carboxylate (CID 106983595) is 2-[(2-methylpropan-2-yl)oxy]ethyl 3-propan-2-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]ethyl 3-propan-2-ylpyrrolidine-3-carboxylate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]ethyl 3-propan-2-ylpyrrolidine-3-carboxylate is CC(C)C1(C(=O)OCCOC(C)(C)C)CCNC1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]ethyl 3-propan-2-ylpyrrolidine-3-carboxylate?
The InChIKey is QBLGTBDUOPWZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-11(2)14(6-7-15-10-14)12(16)17-8-9-18-13(3,4)5/h11,15H,6-10H2,1-5H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]ethyl 3-propan-2-ylpyrrolidine-3-carboxylate?
2-[(2-methylpropan-2-yl)oxy]ethyl 3-propan-2-ylpyrrolidine-3-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]ethyl 3-propan-2-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 106983595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).