2-[3-amino-4-(2-methoxypropan-2-yloxy)cyclopentyl]oxyethanol

C11H23NO4 — CID 123374046

IUPAC2-[3-amino-4-(2-methoxypropan-2-yloxy)cyclopentyl]oxyethanol
SMILESCOC(C)(C)OC1CC(OCCO)CC1N
InChIInChI=1S/C11H23NO4/c1-11(2,14-3)16-10-7-8(6-9(10)12)15-5-4-13/h8-10,13H,4-7,12H2,1-3H3
InChIKeyLMVIKQRVDLYSCZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.25
Rot. Bonds6

About 2-[3-amino-4-(2-methoxypropan-2-yloxy)cyclopentyl]oxyethanol

2-[3-amino-4-(2-methoxypropan-2-yloxy)cyclopentyl]oxyethanol (PubChem CID 123374046) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[3-amino-4-(2-methoxypropan-2-yloxy)cyclopentyl]oxyethanol.

Molecular Properties

Compound Name2-[3-amino-4-(2-methoxypropan-2-yloxy)cyclopentyl]oxyethanol
PubChem CID123374046
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name2-[3-amino-4-(2-methoxypropan-2-yloxy)cyclopentyl]oxyethanol
SMILESCOC(C)(C)OC1CC(OCCO)CC1N
InChIInChI=1S/C11H23NO4/c1-11(2,14-3)16-10-7-8(6-9(10)12)15-5-4-13/h8-10,13H,4-7,12H2,1-3H3
InChIKeyLMVIKQRVDLYSCZ-UHFFFAOYSA-N
XLogP0.25
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(7-amino-2,2-dimethyl-1,3-dioxocan-5-yl)oxy]ethanol
CID 123293472
(1R,2S,3R,5S)-3-amino-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
CID 141351699
2-[[(3aR,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
CID 134714753
2-[[(3aS,4R,6S,6aR)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
CID 78358204
2-(2-methylcyclopropyl)oxyethanol
CID 130122746
2-cyclopentyloxyethanol;ethane;methanamine
CID 144529135
tert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate
CID 150912932
tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate
CID 138695042
1-(3-aminocyclobutyl)oxy-2-methylpropan-2-ol
CID 106940408
5-(3-methylcyclobutyl)oxypentan-1-ol
CID 134489229
2-(4-tricyclo[5.2.1.02,6]decanyloxy)ethanol
CID 54219899
[3-(2-hydroxyethoxy)cyclobutyl] formate
CID 170344966

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(2-methoxypropan-2-yloxy)cyclopentyl]oxyethanol?
The IUPAC name of 2-[3-amino-4-(2-methoxypropan-2-yloxy)cyclopentyl]oxyethanol (CID 123374046) is 2-[3-amino-4-(2-methoxypropan-2-yloxy)cyclopentyl]oxyethanol.
What is the SMILES notation for 2-[3-amino-4-(2-methoxypropan-2-yloxy)cyclopentyl]oxyethanol?
The canonical SMILES for 2-[3-amino-4-(2-methoxypropan-2-yloxy)cyclopentyl]oxyethanol is COC(C)(C)OC1CC(OCCO)CC1N.
What is the InChIKey of 2-[3-amino-4-(2-methoxypropan-2-yloxy)cyclopentyl]oxyethanol?
The InChIKey is LMVIKQRVDLYSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-11(2,14-3)16-10-7-8(6-9(10)12)15-5-4-13/h8-10,13H,4-7,12H2,1-3H3.
What are the key properties of 2-[3-amino-4-(2-methoxypropan-2-yloxy)cyclopentyl]oxyethanol?
2-[3-amino-4-(2-methoxypropan-2-yloxy)cyclopentyl]oxyethanol has a molecular weight of 233.31 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(2-methoxypropan-2-yloxy)cyclopentyl]oxyethanol is sourced from PubChem (CID 123374046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).