2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine

C4H10NO4P — CID 152756492

IUPAC2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine
SMILESNCCC1COP(=O)(O)O1
InChIInChI=1S/C4H10NO4P/c5-2-1-4-3-8-10(6,7)9-4/h4H,1-3,5H2,(H,6,7)
InChIKeyLWGIMHQVNINUFX-UHFFFAOYSA-N
MW167.10 g/mol
LogP-0.15
Rot. Bonds2

About 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine

2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine (PubChem CID 152756492) has the molecular formula C4H10NO4P and a molecular weight of 167.10 g/mol. Its IUPAC name is 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine
PubChem CID152756492
Molecular FormulaC4H10NO4P
Molecular Weight167.10 g/mol
Exact Mass167.03
IUPAC Name2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine
SMILESNCCC1COP(=O)(O)O1
InChIInChI=1S/C4H10NO4P/c5-2-1-4-3-8-10(6,7)9-4/h4H,1-3,5H2,(H,6,7)
InChIKeyLWGIMHQVNINUFX-UHFFFAOYSA-N
XLogP-0.15
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.10
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine 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

4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide
CID 20528626
2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide
CID 172770499
4-(1,1,2,2,3,3,4-heptafluorobutyl)-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 87919088
2-[(2R)-1,4-dioxan-2-yl]ethanamine
CID 94920257
2-(2-methyl-1,3-dioxolan-4-yl)ethanamine
CID 117169771
(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl) 2-methylprop-2-enoate
CID 66648582
2-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]ethanamine
CID 142994239
2-[(4R,6R)-6-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid
CID 15045150
(1R,3R,5S,7R,8R,9R)-11-hydroxy-5-methyl-11-oxo-2,4,6,10,12-pentaoxa-11λ5-phosphatricyclo[7.4.0.03,7]tridecan-8-ol
CID 23271411
2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanamine
CID 67117627
2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine
CID 117170153
2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 20528587

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine?
The IUPAC name of 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine (CID 152756492) is 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine.
What is the SMILES notation for 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine?
The canonical SMILES for 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine is NCCC1COP(=O)(O)O1.
What is the InChIKey of 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine?
The InChIKey is LWGIMHQVNINUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO4P/c5-2-1-4-3-8-10(6,7)9-4/h4H,1-3,5H2,(H,6,7).
What are the key properties of 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine?
2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine has a molecular weight of 167.10 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine is sourced from PubChem (CID 152756492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).