7-amino-2-(2-hydroxyacetyl)-1,4-diazonane-5,8-dione

C9H15N3O4 — CID 59148307

IUPAC7-amino-2-(2-hydroxyacetyl)-1,4-diazonane-5,8-dione
SMILESNC1CC(=O)NCC(C(=O)CO)NCC1=O
InChIInChI=1S/C9H15N3O4/c10-5-1-9(16)12-2-6(8(15)4-13)11-3-7(5)14/h5-6,11,13H,1-4,10H2,(H,12,16)
InChIKeyXVGNWXWXCDBQDM-UHFFFAOYSA-N
MW229.24 g/mol
LogP-3.08
Rot. Bonds2

About 7-amino-2-(2-hydroxyacetyl)-1,4-diazonane-5,8-dione

7-amino-2-(2-hydroxyacetyl)-1,4-diazonane-5,8-dione (PubChem CID 59148307) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 7-amino-2-(2-hydroxyacetyl)-1,4-diazonane-5,8-dione.

Molecular Properties

Compound Name7-amino-2-(2-hydroxyacetyl)-1,4-diazonane-5,8-dione
PubChem CID59148307
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name7-amino-2-(2-hydroxyacetyl)-1,4-diazonane-5,8-dione
SMILESNC1CC(=O)NCC(C(=O)CO)NCC1=O
InChIInChI=1S/C9H15N3O4/c10-5-1-9(16)12-2-6(8(15)4-13)11-3-7(5)14/h5-6,11,13H,1-4,10H2,(H,12,16)
InChIKeyXVGNWXWXCDBQDM-UHFFFAOYSA-N
XLogP-3.08
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-3.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

11-amino-5,8,12-trioxo-1,4,7-triazacyclotridecane-2-carbothioic S-acid
CID 59917688
11-amino-7-(oxomethyl)-1,4,8-triazacyclotridecane-3,10,13-trione;yttrium
CID 59917667
11-amino-7-(oxomethyl)-1,4,8-triazacyclododecane-2,5,10-trione;sulfanide;yttrium
CID 59917702
11-amino-3,10,14-trioxo-1,4,8-triazacyclotetradecane-7-carboxylic acid
CID 59917668
N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
CID 107433351
N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide
CID 107433403
tert-butyl 5-oxopiperazine-2-carboxylate
CID 103846290
4-(2-bromoacetyl)pyrrolidin-2-one
CID 56845216
N-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide
CID 107437680
N-ethyl-N-methyl-5-oxopiperazine-2-carboxamide
CID 107433774
(4R)-4-aminopyrrolidin-2-one;dihydrochloride
CID 121000296
N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
CID 107435117

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(2-hydroxyacetyl)-1,4-diazonane-5,8-dione?
The IUPAC name of 7-amino-2-(2-hydroxyacetyl)-1,4-diazonane-5,8-dione (CID 59148307) is 7-amino-2-(2-hydroxyacetyl)-1,4-diazonane-5,8-dione.
What is the SMILES notation for 7-amino-2-(2-hydroxyacetyl)-1,4-diazonane-5,8-dione?
The canonical SMILES for 7-amino-2-(2-hydroxyacetyl)-1,4-diazonane-5,8-dione is NC1CC(=O)NCC(C(=O)CO)NCC1=O.
What is the InChIKey of 7-amino-2-(2-hydroxyacetyl)-1,4-diazonane-5,8-dione?
The InChIKey is XVGNWXWXCDBQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c10-5-1-9(16)12-2-6(8(15)4-13)11-3-7(5)14/h5-6,11,13H,1-4,10H2,(H,12,16).
What are the key properties of 7-amino-2-(2-hydroxyacetyl)-1,4-diazonane-5,8-dione?
7-amino-2-(2-hydroxyacetyl)-1,4-diazonane-5,8-dione has a molecular weight of 229.24 g/mol, XLogP of -3.08, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(2-hydroxyacetyl)-1,4-diazonane-5,8-dione is sourced from PubChem (CID 59148307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).