1-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-3-carboxylic acid

C18H27N3O5 — CID 119354071

IUPAC1-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)N1CCC(C(=O)O)C1)C2=O
InChIInChI=1S/C18H27N3O5/c1-11-6-17(2,3)10-18(7-11)15(25)21(16(26)19-18)9-13(22)20-5-4-12(8-20)14(23)24/h11-12H,4-10H2,1-3H3,(H,19,26)(H,23,24)
InChIKeyGEZYHZPQEDZREP-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.06
Rot. Bonds3

About 1-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-3-carboxylic acid

1-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 119354071) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID119354071
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Name1-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)N1CCC(C(=O)O)C1)C2=O
InChIInChI=1S/C18H27N3O5/c1-11-6-17(2,3)10-18(7-11)15(25)21(16(26)19-18)9-13(22)20-5-4-12(8-20)14(23)24/h11-12H,4-10H2,1-3H3,(H,19,26)(H,23,24)
InChIKeyGEZYHZPQEDZREP-UHFFFAOYSA-N
XLogP1.06
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S,9R)-3-[2-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 97091250
1-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119355875
(3R)-1-[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 125134505
(5R,9S)-7,7,9-trimethyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2525417
N-cyclopropyl-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25388631
N-cycloheptyl-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25401084
3-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55464839
3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119633530
(5S,9R)-7,7,9-trimethyl-3-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31288417
cyclohexylmethyl 2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 29458864
N-(2-piperidin-1-ylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25333245
N-pentan-3-yl-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41012688

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-3-carboxylic acid (CID 119354071) is 1-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-3-carboxylic acid is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)N1CCC(C(=O)O)C1)C2=O.
What is the InChIKey of 1-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is GEZYHZPQEDZREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-11-6-17(2,3)10-18(7-11)15(25)21(16(26)19-18)9-13(22)20-5-4-12(8-20)14(23)24/h11-12H,4-10H2,1-3H3,(H,19,26)(H,23,24).
What are the key properties of 1-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
1-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).