(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide

C15H28N2O3 — CID 9365023

IUPAC(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
SMILESCCCN(CCC)C(=O)[C@@H]1CC(=O)N([C@@H](C)COC)C1
InChIInChI=1S/C15H28N2O3/c1-5-7-16(8-6-2)15(19)13-9-14(18)17(10-13)12(3)11-20-4/h12-13H,5-11H2,1-4H3/t12-,13+/m0/s1
InChIKeyFSTVYFBBCRULKH-QWHCGFSZSA-N
MW284.40 g/mol
LogP1.52
Rot. Bonds8

About (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide

(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide (PubChem CID 9365023) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
PubChem CID9365023
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
SMILESCCCN(CCC)C(=O)[C@@H]1CC(=O)N([C@@H](C)COC)C1
InChIInChI=1S/C15H28N2O3/c1-5-7-16(8-6-2)15(19)13-9-14(18)17(10-13)12(3)11-20-4/h12-13H,5-11H2,1-4H3/t12-,13+/m0/s1
InChIKeyFSTVYFBBCRULKH-QWHCGFSZSA-N
XLogP1.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide (CID 9365023) is (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide is CCCN(CCC)C(=O)[C@@H]1CC(=O)N([C@@H](C)COC)C1.
What is the InChIKey of (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide?
The InChIKey is FSTVYFBBCRULKH-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-7-16(8-6-2)15(19)13-9-14(18)17(10-13)12(3)11-20-4/h12-13H,5-11H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide?
(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 1.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide is sourced from PubChem (CID 9365023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).