2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanamine

C5H12NO4P — CID 67117627

IUPAC2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanamine
SMILESCC1COP(=O)(OCCN)O1
InChIInChI=1S/C5H12NO4P/c1-5-4-9-11(7,10-5)8-3-2-6/h5H,2-4,6H2,1H3
InChIKeyQURVNNVAGMUNBM-UHFFFAOYSA-N
MW181.13 g/mol
LogP0.51
Rot. Bonds3

About 2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanamine

2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanamine (PubChem CID 67117627) has the molecular formula C5H12NO4P and a molecular weight of 181.13 g/mol. Its IUPAC name is 2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanamine
PubChem CID67117627
Molecular FormulaC5H12NO4P
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC Name2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanamine
SMILESCC1COP(=O)(OCCN)O1
InChIInChI=1S/C5H12NO4P/c1-5-4-9-11(7,10-5)8-3-2-6/h5H,2-4,6H2,1H3
InChIKeyQURVNNVAGMUNBM-UHFFFAOYSA-N
XLogP0.51
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]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

ethyl 3-[(4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]prop-2-enoate
CID 54522268
ethyl (2S)-2-methyl-4-[(5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butanoate
CID 142351805
N,N-diethyl-4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine
CID 15711491
2-ethoxy-4-ethynyl-1,3,2λ5-dioxaphospholane 2-oxide
CID 88889497
(2R)-4-ethenyl-2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 89078403
(1S,2S,8R,9R)-5-butoxy-4,6-dioxa-5λ5-phosphatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide
CID 118066349
2-[2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]ethoxy]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 54442923
2-(2-methoxyethoxy)-1,3,2λ5-dioxaphospholane 2-oxide
CID 71446406
[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 2-methylpropanoate
CID 139351234
2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine
CID 152756492
2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanol
CID 59760775
2-(3-methylsulfanylpropoxy)-1,3,2λ5-dioxaphospholane 2-oxide
CID 169097412

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanamine?
The IUPAC name of 2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanamine (CID 67117627) is 2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanamine.
What is the SMILES notation for 2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanamine?
The canonical SMILES for 2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanamine is CC1COP(=O)(OCCN)O1.
What is the InChIKey of 2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanamine?
The InChIKey is QURVNNVAGMUNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO4P/c1-5-4-9-11(7,10-5)8-3-2-6/h5H,2-4,6H2,1H3.
What are the key properties of 2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanamine?
2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanamine has a molecular weight of 181.13 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanamine is sourced from PubChem (CID 67117627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).