(3R)-N-hydroxy-3-[(2R)-2-methylpyrrolidine-1-carbonyl]-2-oxoheptanamide

C13H22N2O4 — CID 59908478

IUPAC(3R)-N-hydroxy-3-[(2R)-2-methylpyrrolidine-1-carbonyl]-2-oxoheptanamide
SMILESCCCC[C@H](C(=O)C(=O)NO)C(=O)N1CCC[C@H]1C
InChIInChI=1S/C13H22N2O4/c1-3-4-7-10(11(16)12(17)14-19)13(18)15-8-5-6-9(15)2/h9-10,19H,3-8H2,1-2H3,(H,14,17)/t9-,10-/m1/s1
InChIKeyKTUYYNLRHORHDV-NXEZZACHSA-N
MW270.33 g/mol
LogP0.88
Rot. Bonds6

About (3R)-N-hydroxy-3-[(2R)-2-methylpyrrolidine-1-carbonyl]-2-oxoheptanamide

(3R)-N-hydroxy-3-[(2R)-2-methylpyrrolidine-1-carbonyl]-2-oxoheptanamide (PubChem CID 59908478) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3R)-N-hydroxy-3-[(2R)-2-methylpyrrolidine-1-carbonyl]-2-oxoheptanamide.

Molecular Properties

Compound Name(3R)-N-hydroxy-3-[(2R)-2-methylpyrrolidine-1-carbonyl]-2-oxoheptanamide
PubChem CID59908478
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name(3R)-N-hydroxy-3-[(2R)-2-methylpyrrolidine-1-carbonyl]-2-oxoheptanamide
SMILESCCCC[C@H](C(=O)C(=O)NO)C(=O)N1CCC[C@H]1C
InChIInChI=1S/C13H22N2O4/c1-3-4-7-10(11(16)12(17)14-19)13(18)15-8-5-6-9(15)2/h9-10,19H,3-8H2,1-2H3,(H,14,17)/t9-,10-/m1/s1
InChIKeyKTUYYNLRHORHDV-NXEZZACHSA-N
XLogP0.88
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-hydroxy-3-[(2R)-2-methylpyrrolidine-1-carbonyl]-2-oxoheptanamide?
The IUPAC name of (3R)-N-hydroxy-3-[(2R)-2-methylpyrrolidine-1-carbonyl]-2-oxoheptanamide (CID 59908478) is (3R)-N-hydroxy-3-[(2R)-2-methylpyrrolidine-1-carbonyl]-2-oxoheptanamide.
What is the SMILES notation for (3R)-N-hydroxy-3-[(2R)-2-methylpyrrolidine-1-carbonyl]-2-oxoheptanamide?
The canonical SMILES for (3R)-N-hydroxy-3-[(2R)-2-methylpyrrolidine-1-carbonyl]-2-oxoheptanamide is CCCC[C@H](C(=O)C(=O)NO)C(=O)N1CCC[C@H]1C.
What is the InChIKey of (3R)-N-hydroxy-3-[(2R)-2-methylpyrrolidine-1-carbonyl]-2-oxoheptanamide?
The InChIKey is KTUYYNLRHORHDV-NXEZZACHSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-3-4-7-10(11(16)12(17)14-19)13(18)15-8-5-6-9(15)2/h9-10,19H,3-8H2,1-2H3,(H,14,17)/t9-,10-/m1/s1.
What are the key properties of (3R)-N-hydroxy-3-[(2R)-2-methylpyrrolidine-1-carbonyl]-2-oxoheptanamide?
(3R)-N-hydroxy-3-[(2R)-2-methylpyrrolidine-1-carbonyl]-2-oxoheptanamide has a molecular weight of 270.33 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-hydroxy-3-[(2R)-2-methylpyrrolidine-1-carbonyl]-2-oxoheptanamide is sourced from PubChem (CID 59908478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).