1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate

C20H35NO3 — CID 131968750

IUPAC1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate
SMILESCCC(=O)N1CCCC1C(=O)OC(C)CC1CCC(C)(C)C1(C)C
InChIInChI=1S/C20H35NO3/c1-7-17(22)21-12-8-9-16(21)18(23)24-14(2)13-15-10-11-19(3,4)20(15,5)6/h14-16H,7-13H2,1-6H3
InChIKeyOHQZSGFTAPTEDV-UHFFFAOYSA-N
MW337.50 g/mol
LogP4.17
Rot. Bonds5

About 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate

1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate (PubChem CID 131968750) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate
PubChem CID131968750
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate
SMILESCCC(=O)N1CCCC1C(=O)OC(C)CC1CCC(C)(C)C1(C)C
InChIInChI=1S/C20H35NO3/c1-7-17(22)21-12-8-9-16(21)18(23)24-14(2)13-15-10-11-19(3,4)20(15,5)6/h14-16H,7-13H2,1-6H3
InChIKeyOHQZSGFTAPTEDV-UHFFFAOYSA-N
XLogP4.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate?
The IUPAC name of 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate (CID 131968750) is 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate.
What is the SMILES notation for 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate?
The canonical SMILES for 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate is CCC(=O)N1CCCC1C(=O)OC(C)CC1CCC(C)(C)C1(C)C.
What is the InChIKey of 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate?
The InChIKey is OHQZSGFTAPTEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3/c1-7-17(22)21-12-8-9-16(21)18(23)24-14(2)13-15-10-11-19(3,4)20(15,5)6/h14-16H,7-13H2,1-6H3.
What are the key properties of 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate?
1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate has a molecular weight of 337.50 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate is sourced from PubChem (CID 131968750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).