(5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

C8H13N3O2 — CID 95566914

IUPAC(5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESNC[C@H]1CCC[C@@]12NC(=O)NC2=O
InChIInChI=1S/C8H13N3O2/c9-4-5-2-1-3-8(5)6(12)10-7(13)11-8/h5H,1-4,9H2,(H2,10,11,12,13)/t5-,8-/m1/s1
InChIKeyJHUGQAVXQZPQSX-SVGQVSJJSA-N
MW183.21 g/mol
LogP-0.68
Rot. Bonds1

About (5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

(5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 95566914) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID95566914
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESNC[C@H]1CCC[C@@]12NC(=O)NC2=O
InChIInChI=1S/C8H13N3O2/c9-4-5-2-1-3-8(5)6(12)10-7(13)11-8/h5H,1-4,9H2,(H2,10,11,12,13)/t5-,8-/m1/s1
InChIKeyJHUGQAVXQZPQSX-SVGQVSJJSA-N
XLogP-0.68
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-(methylsulfonylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 20798889
(5R,9S)-9-(methoxymethoxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 124672662
(5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 46939003
N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-2,3,4-trifluorobenzenesulfinamide
CID 177036749
3,5-dichloro-N-[[(5R,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]benzenesulfonamide
CID 97076287
(5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 124881194
tert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
CID 95566495
tert-butyl N-[[(5R,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
CID 95566497
6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 115563241
6-methoxy-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106872094
N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-7-methyl-2,3-dihydro-1H-indene-4-carboxamide
CID 128555479
1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(furan-2-ylmethyl)urea
CID 86769507

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 95566914) is (5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is NC[C@H]1CCC[C@@]12NC(=O)NC2=O.
What is the InChIKey of (5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is JHUGQAVXQZPQSX-SVGQVSJJSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-4-5-2-1-3-8(5)6(12)10-7(13)11-8/h5H,1-4,9H2,(H2,10,11,12,13)/t5-,8-/m1/s1.
What are the key properties of (5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of -0.68, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 95566914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).