(2R)-4-methyl-2-[methyl-[(E)-[1-(2-oxopropanoyl)pyrrolidin-2-ylidene]methyl]amino]pentanamide

C15H25N3O3 — CID 71214196

IUPAC(2R)-4-methyl-2-[methyl-[(E)-[1-(2-oxopropanoyl)pyrrolidin-2-ylidene]methyl]amino]pentanamide
SMILESCC(=O)C(=O)N1CCC/C1=C\N(C)[C@H](CC(C)C)C(N)=O
InChIInChI=1S/C15H25N3O3/c1-10(2)8-13(14(16)20)17(4)9-12-6-5-7-18(12)15(21)11(3)19/h9-10,13H,5-8H2,1-4H3,(H2,16,20)/b12-9+/t13-/m1/s1
InChIKeyXGBYYFRXWUGWMX-CNELAYHGSA-N
MW295.38 g/mol
LogP0.87
Rot. Bonds6

About (2R)-4-methyl-2-[methyl-[(E)-[1-(2-oxopropanoyl)pyrrolidin-2-ylidene]methyl]amino]pentanamide

(2R)-4-methyl-2-[methyl-[(E)-[1-(2-oxopropanoyl)pyrrolidin-2-ylidene]methyl]amino]pentanamide (PubChem CID 71214196) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2R)-4-methyl-2-[methyl-[(E)-[1-(2-oxopropanoyl)pyrrolidin-2-ylidene]methyl]amino]pentanamide.

Molecular Properties

Compound Name(2R)-4-methyl-2-[methyl-[(E)-[1-(2-oxopropanoyl)pyrrolidin-2-ylidene]methyl]amino]pentanamide
PubChem CID71214196
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(2R)-4-methyl-2-[methyl-[(E)-[1-(2-oxopropanoyl)pyrrolidin-2-ylidene]methyl]amino]pentanamide
SMILESCC(=O)C(=O)N1CCC/C1=C\N(C)[C@H](CC(C)C)C(N)=O
InChIInChI=1S/C15H25N3O3/c1-10(2)8-13(14(16)20)17(4)9-12-6-5-7-18(12)15(21)11(3)19/h9-10,13H,5-8H2,1-4H3,(H2,16,20)/b12-9+/t13-/m1/s1
InChIKeyXGBYYFRXWUGWMX-CNELAYHGSA-N
XLogP0.87
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[methyl-[(E)-[1-(2-oxopropanoyl)pyrrolidin-2-ylidene]methyl]amino]pentanamide?
The IUPAC name of (2R)-4-methyl-2-[methyl-[(E)-[1-(2-oxopropanoyl)pyrrolidin-2-ylidene]methyl]amino]pentanamide (CID 71214196) is (2R)-4-methyl-2-[methyl-[(E)-[1-(2-oxopropanoyl)pyrrolidin-2-ylidene]methyl]amino]pentanamide.
What is the SMILES notation for (2R)-4-methyl-2-[methyl-[(E)-[1-(2-oxopropanoyl)pyrrolidin-2-ylidene]methyl]amino]pentanamide?
The canonical SMILES for (2R)-4-methyl-2-[methyl-[(E)-[1-(2-oxopropanoyl)pyrrolidin-2-ylidene]methyl]amino]pentanamide is CC(=O)C(=O)N1CCC/C1=C\N(C)[C@H](CC(C)C)C(N)=O.
What is the InChIKey of (2R)-4-methyl-2-[methyl-[(E)-[1-(2-oxopropanoyl)pyrrolidin-2-ylidene]methyl]amino]pentanamide?
The InChIKey is XGBYYFRXWUGWMX-CNELAYHGSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10(2)8-13(14(16)20)17(4)9-12-6-5-7-18(12)15(21)11(3)19/h9-10,13H,5-8H2,1-4H3,(H2,16,20)/b12-9+/t13-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[methyl-[(E)-[1-(2-oxopropanoyl)pyrrolidin-2-ylidene]methyl]amino]pentanamide?
(2R)-4-methyl-2-[methyl-[(E)-[1-(2-oxopropanoyl)pyrrolidin-2-ylidene]methyl]amino]pentanamide has a molecular weight of 295.38 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[methyl-[(E)-[1-(2-oxopropanoyl)pyrrolidin-2-ylidene]methyl]amino]pentanamide is sourced from PubChem (CID 71214196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).