7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C10H16N4O4 — CID 106113360

IUPAC7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCOC(CN)C(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C10H16N4O4/c1-18-6(4-11)7(15)14-3-2-10(5-14)8(16)12-9(17)13-10/h6H,2-5,11H2,1H3,(H2,12,13,16,17)
InChIKeyGPBGOGJXYXPQIF-UHFFFAOYSA-N
MW256.26 g/mol
LogP-2.23
Rot. Bonds3

About 7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 106113360) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID106113360
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCOC(CN)C(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C10H16N4O4/c1-18-6(4-11)7(15)14-3-2-10(5-14)8(16)12-9(17)13-10/h6H,2-5,11H2,1H3,(H2,12,13,16,17)
InChIKeyGPBGOGJXYXPQIF-UHFFFAOYSA-N
XLogP-2.23
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-2.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione with MolForge

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Related Compounds

9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 113374783
7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 112692300
8-(2-amino-3-methylpentanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60963359
9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 107905582
8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 79814900
(5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 98767916
3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid
CID 64894748
N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
CID 78996102
4-(3-amino-2-methoxypropanoyl)piperazine-2,6-dione
CID 106113080
8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873032
1-(3-amino-2-methoxypropanoyl)-3-methylpiperidine-3-carboxylic acid
CID 114145091
7-pentanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996234

Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 106113360) is 7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is COC(CN)C(=O)N1CCC2(C1)NC(=O)NC2=O.
What is the InChIKey of 7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is GPBGOGJXYXPQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-18-6(4-11)7(15)14-3-2-10(5-14)8(16)12-9(17)13-10/h6H,2-5,11H2,1H3,(H2,12,13,16,17).
What are the key properties of 7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 256.26 g/mol, XLogP of -2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 106113360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).