(4R)-N-(1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-1,4-dimethylpyrrolidine-2-carboxamide

C14H24N2O3 — CID 165393696

IUPAC(4R)-N-(1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-1,4-dimethylpyrrolidine-2-carboxamide
SMILESC[C@@H]1CC(C(=O)NC(CC2CC2)C(O)C=O)N(C)C1
InChIInChI=1S/C14H24N2O3/c1-9-5-12(16(2)7-9)14(19)15-11(13(18)8-17)6-10-3-4-10/h8-13,18H,3-7H2,1-2H3,(H,15,19)/t9-,11?,12?,13?/m1/s1
InChIKeyKNJAZELAGURXFC-HNLWRCSVSA-N
MW268.36 g/mol
LogP0.17
Rot. Bonds6

About (4R)-N-(1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-1,4-dimethylpyrrolidine-2-carboxamide

(4R)-N-(1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-1,4-dimethylpyrrolidine-2-carboxamide (PubChem CID 165393696) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (4R)-N-(1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-1,4-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(4R)-N-(1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-1,4-dimethylpyrrolidine-2-carboxamide
PubChem CID165393696
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(4R)-N-(1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-1,4-dimethylpyrrolidine-2-carboxamide
SMILESC[C@@H]1CC(C(=O)NC(CC2CC2)C(O)C=O)N(C)C1
InChIInChI=1S/C14H24N2O3/c1-9-5-12(16(2)7-9)14(19)15-11(13(18)8-17)6-10-3-4-10/h8-13,18H,3-7H2,1-2H3,(H,15,19)/t9-,11?,12?,13?/m1/s1
InChIKeyKNJAZELAGURXFC-HNLWRCSVSA-N
XLogP0.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-(1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-1,4-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (4R)-N-(1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-1,4-dimethylpyrrolidine-2-carboxamide (CID 165393696) is (4R)-N-(1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-1,4-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (4R)-N-(1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-1,4-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (4R)-N-(1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-1,4-dimethylpyrrolidine-2-carboxamide is C[C@@H]1CC(C(=O)NC(CC2CC2)C(O)C=O)N(C)C1.
What is the InChIKey of (4R)-N-(1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-1,4-dimethylpyrrolidine-2-carboxamide?
The InChIKey is KNJAZELAGURXFC-HNLWRCSVSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-5-12(16(2)7-9)14(19)15-11(13(18)8-17)6-10-3-4-10/h8-13,18H,3-7H2,1-2H3,(H,15,19)/t9-,11?,12?,13?/m1/s1.
What are the key properties of (4R)-N-(1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-1,4-dimethylpyrrolidine-2-carboxamide?
(4R)-N-(1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-1,4-dimethylpyrrolidine-2-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-1,4-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 165393696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).