(2R)-3-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanyl-2-(methylamino)propanamide

C11H19N3O3S — CID 58814794

IUPAC(2R)-3-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanyl-2-(methylamino)propanamide
SMILESCCCN1C(=O)CC(SC[C@H](NC)C(N)=O)C1=O
InChIInChI=1S/C11H19N3O3S/c1-3-4-14-9(15)5-8(11(14)17)18-6-7(13-2)10(12)16/h7-8,13H,3-6H2,1-2H3,(H2,12,16)/t7-,8?/m0/s1
InChIKeyNYCLKPLQIMQYKN-JAMMHHFISA-N
MW273.36 g/mol
LogP-0.67
Rot. Bonds7

About (2R)-3-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanyl-2-(methylamino)propanamide

(2R)-3-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanyl-2-(methylamino)propanamide (PubChem CID 58814794) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is (2R)-3-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanyl-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2R)-3-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanyl-2-(methylamino)propanamide
PubChem CID58814794
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name(2R)-3-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanyl-2-(methylamino)propanamide
SMILESCCCN1C(=O)CC(SC[C@H](NC)C(N)=O)C1=O
InChIInChI=1S/C11H19N3O3S/c1-3-4-14-9(15)5-8(11(14)17)18-6-7(13-2)10(12)16/h7-8,13H,3-6H2,1-2H3,(H2,12,16)/t7-,8?/m0/s1
InChIKeyNYCLKPLQIMQYKN-JAMMHHFISA-N
XLogP-0.67
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanyl-2-(methylamino)propanamide?
The IUPAC name of (2R)-3-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanyl-2-(methylamino)propanamide (CID 58814794) is (2R)-3-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanyl-2-(methylamino)propanamide.
What is the SMILES notation for (2R)-3-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanyl-2-(methylamino)propanamide?
The canonical SMILES for (2R)-3-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanyl-2-(methylamino)propanamide is CCCN1C(=O)CC(SC[C@H](NC)C(N)=O)C1=O.
What is the InChIKey of (2R)-3-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanyl-2-(methylamino)propanamide?
The InChIKey is NYCLKPLQIMQYKN-JAMMHHFISA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-3-4-14-9(15)5-8(11(14)17)18-6-7(13-2)10(12)16/h7-8,13H,3-6H2,1-2H3,(H2,12,16)/t7-,8?/m0/s1.
What are the key properties of (2R)-3-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanyl-2-(methylamino)propanamide?
(2R)-3-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanyl-2-(methylamino)propanamide has a molecular weight of 273.36 g/mol, XLogP of -0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanyl-2-(methylamino)propanamide is sourced from PubChem (CID 58814794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).