1-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

C13H23N3O2 — CID 72909623

IUPAC1-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCCC[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1N
InChIInChI=1S/C13H23N3O2/c1-2-4-10-7-16(8-11(10)14)13(18)9-15-6-3-5-12(15)17/h10-11H,2-9,14H2,1H3/t10-,11-/m0/s1
InChIKeyINMYKIHSGWOAHM-QWRGUYRKSA-N
MW253.35 g/mol
LogP0.19
Rot. Bonds4

About 1-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 72909623) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID72909623
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCCC[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1N
InChIInChI=1S/C13H23N3O2/c1-2-4-10-7-16(8-11(10)14)13(18)9-15-6-3-5-12(15)17/h10-11H,2-9,14H2,1H3/t10-,11-/m0/s1
InChIKeyINMYKIHSGWOAHM-QWRGUYRKSA-N
XLogP0.19
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 72909623) is 1-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is CCC[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1N.
What is the InChIKey of 1-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is INMYKIHSGWOAHM-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-4-10-7-16(8-11(10)14)13(18)9-15-6-3-5-12(15)17/h10-11H,2-9,14H2,1H3/t10-,11-/m0/s1.
What are the key properties of 1-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 72909623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).