2-methylpropyl 3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropanoate

C15H29NO3 — CID 14441423

IUPAC2-methylpropyl 3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropanoate
SMILESCC(C)COCC(C(=O)OCC(C)C)N1CCCC1
InChIInChI=1S/C15H29NO3/c1-12(2)9-18-11-14(16-7-5-6-8-16)15(17)19-10-13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyJHIUMBJJCXLNFZ-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.32
Rot. Bonds8

About 2-methylpropyl 3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropanoate

2-methylpropyl 3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropanoate (PubChem CID 14441423) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-methylpropyl 3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropanoate.

Molecular Properties

Compound Name2-methylpropyl 3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropanoate
PubChem CID14441423
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2-methylpropyl 3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropanoate
SMILESCC(C)COCC(C(=O)OCC(C)C)N1CCCC1
InChIInChI=1S/C15H29NO3/c1-12(2)9-18-11-14(16-7-5-6-8-16)15(17)19-10-13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyJHIUMBJJCXLNFZ-UHFFFAOYSA-N
XLogP2.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropanoate?
The IUPAC name of 2-methylpropyl 3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropanoate (CID 14441423) is 2-methylpropyl 3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropanoate.
What is the SMILES notation for 2-methylpropyl 3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropanoate?
The canonical SMILES for 2-methylpropyl 3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropanoate is CC(C)COCC(C(=O)OCC(C)C)N1CCCC1.
What is the InChIKey of 2-methylpropyl 3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropanoate?
The InChIKey is JHIUMBJJCXLNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-12(2)9-18-11-14(16-7-5-6-8-16)15(17)19-10-13(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-methylpropyl 3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropanoate?
2-methylpropyl 3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropanoate has a molecular weight of 271.40 g/mol, XLogP of 2.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropanoate is sourced from PubChem (CID 14441423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).