(1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate

C10H19NO2 — CID 137430030

IUPAC(1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1CC(C)N(C)C1
InChIInChI=1S/C10H19NO2/c1-7(2)10(12)13-9-5-8(3)11(4)6-9/h7-9H,5-6H2,1-4H3
InChIKeyAUUMKVLAWNHIKU-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds2

About (1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate

(1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate (PubChem CID 137430030) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate
PubChem CID137430030
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1CC(C)N(C)C1
InChIInChI=1S/C10H19NO2/c1-7(2)10(12)13-9-5-8(3)11(4)6-9/h7-9H,5-6H2,1-4H3
InChIKeyAUUMKVLAWNHIKU-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate?
The IUPAC name of (1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate (CID 137430030) is (1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate.
What is the SMILES notation for (1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate?
The canonical SMILES for (1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate is CC(C)C(=O)OC1CC(C)N(C)C1.
What is the InChIKey of (1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate?
The InChIKey is AUUMKVLAWNHIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)10(12)13-9-5-8(3)11(4)6-9/h7-9H,5-6H2,1-4H3.
What are the key properties of (1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate?
(1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate has a molecular weight of 185.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate is sourced from PubChem (CID 137430030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).