1-[2-amino-1-(furan-2-yl)ethyl]azetidin-3-ol

C9H14N2O2 — CID 131207499

IUPAC1-[2-amino-1-(furan-2-yl)ethyl]azetidin-3-ol
SMILESNCC(c1ccco1)N1CC(O)C1
InChIInChI=1S/C9H14N2O2/c10-4-8(9-2-1-3-13-9)11-5-7(12)6-11/h1-3,7-8,12H,4-6,10H2
InChIKeyIXQMGOHAIDLQKX-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.04
Rot. Bonds3

About 1-[2-amino-1-(furan-2-yl)ethyl]azetidin-3-ol

1-[2-amino-1-(furan-2-yl)ethyl]azetidin-3-ol (PubChem CID 131207499) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[2-amino-1-(furan-2-yl)ethyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-1-(furan-2-yl)ethyl]azetidin-3-ol
PubChem CID131207499
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-[2-amino-1-(furan-2-yl)ethyl]azetidin-3-ol
SMILESNCC(c1ccco1)N1CC(O)C1
InChIInChI=1S/C9H14N2O2/c10-4-8(9-2-1-3-13-9)11-5-7(12)6-11/h1-3,7-8,12H,4-6,10H2
InChIKeyIXQMGOHAIDLQKX-UHFFFAOYSA-N
XLogP-0.04
TPSA62.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol
CID 102956003
[1-[2-amino-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanol
CID 112624466
2-(furan-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103530810
2-(3-tert-butylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine
CID 113416920
2-(3-ethylpiperidin-1-yl)-2-(furan-2-yl)ethanamine
CID 43584299
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(furan-2-yl)ethanamine
CID 79931766
2-[1-[2-amino-1-(furan-2-yl)ethyl]piperidin-4-yl]oxyethanol
CID 82696071
2-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 55050220
2-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)ethanamine
CID 43346331
2-(4,4-diethylpiperidin-1-yl)-2-(furan-2-yl)ethanamine
CID 63156988
4-[2-amino-1-(furan-2-yl)ethyl]-1-methylpiperazin-2-one
CID 64682378
1-(2-amino-1-pyridazin-3-ylethyl)azetidin-3-ol
CID 82401029

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(furan-2-yl)ethyl]azetidin-3-ol?
The IUPAC name of 1-[2-amino-1-(furan-2-yl)ethyl]azetidin-3-ol (CID 131207499) is 1-[2-amino-1-(furan-2-yl)ethyl]azetidin-3-ol.
What is the SMILES notation for 1-[2-amino-1-(furan-2-yl)ethyl]azetidin-3-ol?
The canonical SMILES for 1-[2-amino-1-(furan-2-yl)ethyl]azetidin-3-ol is NCC(c1ccco1)N1CC(O)C1.
What is the InChIKey of 1-[2-amino-1-(furan-2-yl)ethyl]azetidin-3-ol?
The InChIKey is IXQMGOHAIDLQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-4-8(9-2-1-3-13-9)11-5-7(12)6-11/h1-3,7-8,12H,4-6,10H2.
What are the key properties of 1-[2-amino-1-(furan-2-yl)ethyl]azetidin-3-ol?
1-[2-amino-1-(furan-2-yl)ethyl]azetidin-3-ol has a molecular weight of 182.22 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(furan-2-yl)ethyl]azetidin-3-ol is sourced from PubChem (CID 131207499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).