N-cyclopentyl-N'-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]oxamide

C13H23N3O3 — CID 50969541

IUPACN-cyclopentyl-N'-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]oxamide
SMILESCN1C[C@H](NC(=O)C(=O)NC2CCCC2)C[C@H]1CO
InChIInChI=1S/C13H23N3O3/c1-16-7-10(6-11(16)8-17)15-13(19)12(18)14-9-4-2-3-5-9/h9-11,17H,2-8H2,1H3,(H,14,18)(H,15,19)/t10-,11+/m1/s1
InChIKeyZCZGLBLQEILOSN-MNOVXSKESA-N
MW269.34 g/mol
LogP-0.77
Rot. Bonds3

About N-cyclopentyl-N'-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]oxamide

N-cyclopentyl-N'-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]oxamide (PubChem CID 50969541) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-cyclopentyl-N'-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]oxamide
PubChem CID50969541
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-cyclopentyl-N'-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]oxamide
SMILESCN1C[C@H](NC(=O)C(=O)NC2CCCC2)C[C@H]1CO
InChIInChI=1S/C13H23N3O3/c1-16-7-10(6-11(16)8-17)15-13(19)12(18)14-9-4-2-3-5-9/h9-11,17H,2-8H2,1H3,(H,14,18)(H,15,19)/t10-,11+/m1/s1
InChIKeyZCZGLBLQEILOSN-MNOVXSKESA-N
XLogP-0.77
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
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 N-cyclopentyl-N'-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]oxamide?
The IUPAC name of N-cyclopentyl-N'-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]oxamide (CID 50969541) is N-cyclopentyl-N'-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]oxamide.
What is the SMILES notation for N-cyclopentyl-N'-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]oxamide?
The canonical SMILES for N-cyclopentyl-N'-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]oxamide is CN1C[C@H](NC(=O)C(=O)NC2CCCC2)C[C@H]1CO.
What is the InChIKey of N-cyclopentyl-N'-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]oxamide?
The InChIKey is ZCZGLBLQEILOSN-MNOVXSKESA-N. The full InChI is InChI=1S/C13H23N3O3/c1-16-7-10(6-11(16)8-17)15-13(19)12(18)14-9-4-2-3-5-9/h9-11,17H,2-8H2,1H3,(H,14,18)(H,15,19)/t10-,11+/m1/s1.
What are the key properties of N-cyclopentyl-N'-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]oxamide?
N-cyclopentyl-N'-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]oxamide has a molecular weight of 269.34 g/mol, XLogP of -0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]oxamide is sourced from PubChem (CID 50969541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).