8-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]ethyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid

C23H31N5O6 — CID 139534357

IUPAC8-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]ethyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid
SMILESCOc1ccc(C(=O)NCCN2CCC3(CC2)CCN(C(=O)O)C3)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C23H31N5O6/c1-34-18-3-2-16(14-17(18)28-9-4-19(29)25-21(28)31)20(30)24-8-13-26-10-5-23(6-11-26)7-12-27(15-23)22(32)33/h2-3,14H,4-13,15H2,1H3,(H,24,30)(H,32,33)(H,25,29,31)
InChIKeyHSWUFVUTGPMRJE-UHFFFAOYSA-N
MW473.53 g/mol
LogP1.34
Rot. Bonds6

About 8-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]ethyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid

8-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]ethyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid (PubChem CID 139534357) has the molecular formula C23H31N5O6 and a molecular weight of 473.53 g/mol. Its IUPAC name is 8-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]ethyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

Compound Name8-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]ethyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid
PubChem CID139534357
Molecular FormulaC23H31N5O6
Molecular Weight473.53 g/mol
Exact Mass473.23
IUPAC Name8-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]ethyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid
SMILESCOc1ccc(C(=O)NCCN2CCC3(CC2)CCN(C(=O)O)C3)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C23H31N5O6/c1-34-18-3-2-16(14-17(18)28-9-4-19(29)25-21(28)31)20(30)24-8-13-26-10-5-23(6-11-26)7-12-27(15-23)22(32)33/h2-3,14H,4-13,15H2,1H3,(H,24,30)(H,32,33)(H,25,29,31)
InChIKeyHSWUFVUTGPMRJE-UHFFFAOYSA-N
XLogP1.34
TPSA131.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]ethyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid?
The IUPAC name of 8-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]ethyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid (CID 139534357) is 8-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]ethyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid.
What is the SMILES notation for 8-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]ethyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid?
The canonical SMILES for 8-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]ethyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid is COc1ccc(C(=O)NCCN2CCC3(CC2)CCN(C(=O)O)C3)cc1N1CCC(=O)NC1=O.
What is the InChIKey of 8-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]ethyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid?
The InChIKey is HSWUFVUTGPMRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O6/c1-34-18-3-2-16(14-17(18)28-9-4-19(29)25-21(28)31)20(30)24-8-13-26-10-5-23(6-11-26)7-12-27(15-23)22(32)33/h2-3,14H,4-13,15H2,1H3,(H,24,30)(H,32,33)(H,25,29,31).
What are the key properties of 8-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]ethyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid?
8-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]ethyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid has a molecular weight of 473.53 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]ethyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 139534357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).