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

C20H30N4O4 — CID 66900114

IUPAC(2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide
SMILESCC(C)OCCn1ccc(NC(=O)[C@H](CC2CCCC2)N2CC(=O)CC2=O)n1
InChIInChI=1S/C20H30N4O4/c1-14(2)28-10-9-23-8-7-18(22-23)21-20(27)17(11-15-5-3-4-6-15)24-13-16(25)12-19(24)26/h7-8,14-15,17H,3-6,9-13H2,1-2H3,(H,21,22,27)/t17-/m0/s1
InChIKeyKIGKIKSMUFNBRC-KRWDZBQOSA-N
MW390.48 g/mol
LogP2.00
Rot. Bonds9

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

(2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide (PubChem CID 66900114) 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-propan-2-yloxyethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide
PubChem CID66900114
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name(2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide
SMILESCC(C)OCCn1ccc(NC(=O)[C@H](CC2CCCC2)N2CC(=O)CC2=O)n1
InChIInChI=1S/C20H30N4O4/c1-14(2)28-10-9-23-8-7-18(22-23)21-20(27)17(11-15-5-3-4-6-15)24-13-16(25)12-19(24)26/h7-8,14-15,17H,3-6,9-13H2,1-2H3,(H,21,22,27)/t17-/m0/s1
InChIKeyKIGKIKSMUFNBRC-KRWDZBQOSA-N
XLogP2.00
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
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-propan-2-yloxyethyl)pyrazol-3-yl]propanamide?
The IUPAC name of (2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide (CID 66900114) is (2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide is CC(C)OCCn1ccc(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-propan-2-yloxyethyl)pyrazol-3-yl]propanamide?
The InChIKey is KIGKIKSMUFNBRC-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-14(2)28-10-9-23-8-7-18(22-23)21-20(27)17(11-15-5-3-4-6-15)24-13-16(25)12-19(24)26/h7-8,14-15,17H,3-6,9-13H2,1-2H3,(H,21,22,27)/t17-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide?
(2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide has a molecular weight of 390.48 g/mol, XLogP of 2.00, 9 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-propan-2-yloxyethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 66900114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).