1-[3-(cyclopropylamino)-2-hydroxypropyl]azepane-2,7-dione

C12H20N2O3 — CID 43447627

IUPAC1-[3-(cyclopropylamino)-2-hydroxypropyl]azepane-2,7-dione
SMILESO=C1CCCCC(=O)N1CC(O)CNC1CC1
InChIInChI=1S/C12H20N2O3/c15-10(7-13-9-5-6-9)8-14-11(16)3-1-2-4-12(14)17/h9-10,13,15H,1-8H2
InChIKeyJGWNXYKAOHOBER-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.03
Rot. Bonds5

About 1-[3-(cyclopropylamino)-2-hydroxypropyl]azepane-2,7-dione

1-[3-(cyclopropylamino)-2-hydroxypropyl]azepane-2,7-dione (PubChem CID 43447627) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-2-hydroxypropyl]azepane-2,7-dione.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-2-hydroxypropyl]azepane-2,7-dione
PubChem CID43447627
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[3-(cyclopropylamino)-2-hydroxypropyl]azepane-2,7-dione
SMILESO=C1CCCCC(=O)N1CC(O)CNC1CC1
InChIInChI=1S/C12H20N2O3/c15-10(7-13-9-5-6-9)8-14-11(16)3-1-2-4-12(14)17/h9-10,13,15H,1-8H2
InChIKeyJGWNXYKAOHOBER-UHFFFAOYSA-N
XLogP0.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-(cyclopropylamino)-2-hydroxypropyl]azepane-2,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione
CID 62932920
3-[3-(cyclopropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43165980
1-(azepan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165749
1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165880
1-(3-amino-2-hydroxypropyl)piperidine-2,6-dione
CID 43447638
(2S)-1-(cyclohexylamino)-3-[4-[(2S)-3-(cyclohexylamino)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 7446257
(2S)-1-(cyclopropylamino)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 124550924
1-(cyclopentylamino)-3-phenothiazin-10-ylpropan-2-ol
CID 23819908
3-bromo-1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-2-one
CID 114760444
1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775844
2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271324
1-(cyclopropylamino)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 43165764

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)-2-hydroxypropyl]azepane-2,7-dione?
The IUPAC name of 1-[3-(cyclopropylamino)-2-hydroxypropyl]azepane-2,7-dione (CID 43447627) is 1-[3-(cyclopropylamino)-2-hydroxypropyl]azepane-2,7-dione.
What is the SMILES notation for 1-[3-(cyclopropylamino)-2-hydroxypropyl]azepane-2,7-dione?
The canonical SMILES for 1-[3-(cyclopropylamino)-2-hydroxypropyl]azepane-2,7-dione is O=C1CCCCC(=O)N1CC(O)CNC1CC1.
What is the InChIKey of 1-[3-(cyclopropylamino)-2-hydroxypropyl]azepane-2,7-dione?
The InChIKey is JGWNXYKAOHOBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-10(7-13-9-5-6-9)8-14-11(16)3-1-2-4-12(14)17/h9-10,13,15H,1-8H2.
What are the key properties of 1-[3-(cyclopropylamino)-2-hydroxypropyl]azepane-2,7-dione?
1-[3-(cyclopropylamino)-2-hydroxypropyl]azepane-2,7-dione has a molecular weight of 240.30 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)-2-hydroxypropyl]azepane-2,7-dione is sourced from PubChem (CID 43447627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).