(3R)-1-cyclopropyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide

C19H28N4O4 — CID 36868629

IUPAC(3R)-1-cyclopropyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C19H28N4O4/c24-15-11-13(12-23(15)14-5-6-14)16(25)20-9-4-10-22-17(26)19(21-18(22)27)7-2-1-3-8-19/h13-14H,1-12H2,(H,20,25)(H,21,27)/t13-/m1/s1
InChIKeyVLTGOCAETIOILQ-CYBMUJFWSA-N
MW376.46 g/mol
LogP0.76
Rot. Bonds6

About (3R)-1-cyclopropyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-cyclopropyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 36868629) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID36868629
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name(3R)-1-cyclopropyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C19H28N4O4/c24-15-11-13(12-23(15)14-5-6-14)16(25)20-9-4-10-22-17(26)19(21-18(22)27)7-2-1-3-8-19/h13-14H,1-12H2,(H,20,25)(H,21,27)/t13-/m1/s1
InChIKeyVLTGOCAETIOILQ-CYBMUJFWSA-N
XLogP0.76
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-cyclopentyl-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 95283558
1-(3-bromophenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 46581789
N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3244152
(3R)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030812
(3S)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030810
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea
CID 47012814
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081353
(3S)-1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 94617423
(3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide
CID 97126904
(3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 94869872

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopropyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 36868629) is (3R)-1-cyclopropyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopropyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopropyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (3R)-1-cyclopropyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VLTGOCAETIOILQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H28N4O4/c24-15-11-13(12-23(15)14-5-6-14)16(25)20-9-4-10-22-17(26)19(21-18(22)27)7-2-1-3-8-19/h13-14H,1-12H2,(H,20,25)(H,21,27)/t13-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cyclopropyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 36868629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).