(2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide

C20H30N4O4 — CID 66899586

IUPAC(2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide
SMILESCOC(C)(C)Cn1ccc(NC(=O)[C@H](CC2CCCC2)N2CC(=O)CC2=O)n1
InChIInChI=1S/C20H30N4O4/c1-20(2,28-3)13-23-9-8-17(22-23)21-19(27)16(10-14-6-4-5-7-14)24-12-15(25)11-18(24)26/h8-9,14,16H,4-7,10-13H2,1-3H3,(H,21,22,27)/t16-/m0/s1
InChIKeyQYOAZQGMBZQLKR-INIZCTEOSA-N
MW390.48 g/mol
LogP2.00
Rot. Bonds8

About (2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide

(2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide (PubChem CID 66899586) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide
PubChem CID66899586
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name(2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide
SMILESCOC(C)(C)Cn1ccc(NC(=O)[C@H](CC2CCCC2)N2CC(=O)CC2=O)n1
InChIInChI=1S/C20H30N4O4/c1-20(2,28-3)13-23-9-8-17(22-23)21-19(27)16(10-14-6-4-5-7-14)24-12-15(25)11-18(24)26/h8-9,14,16H,4-7,10-13H2,1-3H3,(H,21,22,27)/t16-/m0/s1
InChIKeyQYOAZQGMBZQLKR-INIZCTEOSA-N
XLogP2.00
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide?
The IUPAC name of (2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide (CID 66899586) is (2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide is COC(C)(C)Cn1ccc(NC(=O)[C@H](CC2CCCC2)N2CC(=O)CC2=O)n1.
What is the InChIKey of (2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide?
The InChIKey is QYOAZQGMBZQLKR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-20(2,28-3)13-23-9-8-17(22-23)21-19(27)16(10-14-6-4-5-7-14)24-12-15(25)11-18(24)26/h8-9,14,16H,4-7,10-13H2,1-3H3,(H,21,22,27)/t16-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide?
(2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide has a molecular weight of 390.48 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 66899586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).