[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

C18H25N5O5 — CID 7821339

IUPAC[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCC(C)n1nccc1NC(=O)[C@H](C)OC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C18H25N5O5/c1-11(2)23-13(6-9-19-23)20-15(25)12(3)28-14(24)10-22-16(26)18(21-17(22)27)7-4-5-8-18/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,20,25)(H,21,27)/t12-/m0/s1
InChIKeySCKXETPITGNTBH-LBPRGKRZSA-N
MW391.43 g/mol
LogP1.20
Rot. Bonds6

About [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (PubChem CID 7821339) has the molecular formula C18H25N5O5 and a molecular weight of 391.43 g/mol. Its IUPAC name is [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
PubChem CID7821339
Molecular FormulaC18H25N5O5
Molecular Weight391.43 g/mol
Exact Mass391.19
IUPAC Name[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCC(C)n1nccc1NC(=O)[C@H](C)OC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C18H25N5O5/c1-11(2)23-13(6-9-19-23)20-15(25)12(3)28-14(24)10-22-16(26)18(21-17(22)27)7-4-5-8-18/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,20,25)(H,21,27)/t12-/m0/s1
InChIKeySCKXETPITGNTBH-LBPRGKRZSA-N
XLogP1.20
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-Oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 16316880
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30183730
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1-methylpyrazol-3-yl)butanamide
CID 40010450
(2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 66899586
3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 66899587
(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide
CID 66899807
3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide
CID 66899809
(2S)-3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide
CID 66900114
3-cyclopentyl-2-(2,4-dioxopyrrolidin-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide
CID 66900118
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691067
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691068
[2-[(2-Cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691069

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The IUPAC name of [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (CID 7821339) is [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.
What is the SMILES notation for [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The canonical SMILES for [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The InChIKey is SCKXETPITGNTBH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H25N5O5/c1-11(2)23-13(6-9-19-23)20-15(25)12(3)28-14(24)10-22-16(26)18(21-17(22)27)7-4-5-8-18/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,20,25)(H,21,27)/t12-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate has a molecular weight of 391.43 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is sourced from PubChem (CID 7821339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).