[1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl 3-methylbutanoate

C15H27NO3 — CID 19840988

IUPAC[1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl 3-methylbutanoate
SMILESCC(C)CC(=O)OCC1CCCN1C(=O)CC(C)C
InChIInChI=1S/C15H27NO3/c1-11(2)8-14(17)16-7-5-6-13(16)10-19-15(18)9-12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyKLQFPYLYSFDYBG-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.61
Rot. Bonds6

About [1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl 3-methylbutanoate

[1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl 3-methylbutanoate (PubChem CID 19840988) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is [1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl 3-methylbutanoate.

Molecular Properties

Compound Name[1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl 3-methylbutanoate
PubChem CID19840988
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name[1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl 3-methylbutanoate
SMILESCC(C)CC(=O)OCC1CCCN1C(=O)CC(C)C
InChIInChI=1S/C15H27NO3/c1-11(2)8-14(17)16-7-5-6-13(16)10-19-15(18)9-12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyKLQFPYLYSFDYBG-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl 3-methylbutanoate?
The IUPAC name of [1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl 3-methylbutanoate (CID 19840988) is [1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl 3-methylbutanoate.
What is the SMILES notation for [1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl 3-methylbutanoate?
The canonical SMILES for [1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl 3-methylbutanoate is CC(C)CC(=O)OCC1CCCN1C(=O)CC(C)C.
What is the InChIKey of [1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl 3-methylbutanoate?
The InChIKey is KLQFPYLYSFDYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11(2)8-14(17)16-7-5-6-13(16)10-19-15(18)9-12(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of [1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl 3-methylbutanoate?
[1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl 3-methylbutanoate has a molecular weight of 269.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl 3-methylbutanoate is sourced from PubChem (CID 19840988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).