1-(methylamino)ethylphosphonic acid

C3H10NO3P — CID 12596020

IUPAC1-(methylamino)ethylphosphonic acid
SMILESCNC(C)P(=O)(O)O
InChIInChI=1S/C3H10NO3P/c1-3(4-2)8(5,6)7/h3-4H,1-2H3,(H2,5,6,7)
InChIKeyNRHFUNDSIRFZNQ-UHFFFAOYSA-N
MW139.09 g/mol
LogP-0.27
Rot. Bonds2

About 1-(methylamino)ethylphosphonic acid

1-(methylamino)ethylphosphonic acid (PubChem CID 12596020) has the molecular formula C3H10NO3P and a molecular weight of 139.09 g/mol. Its IUPAC name is 1-(methylamino)ethylphosphonic acid.

Molecular Properties

Compound Name1-(methylamino)ethylphosphonic acid
PubChem CID12596020
Molecular FormulaC3H10NO3P
Molecular Weight139.09 g/mol
Exact Mass139.04
IUPAC Name1-(methylamino)ethylphosphonic acid
SMILESCNC(C)P(=O)(O)O
InChIInChI=1S/C3H10NO3P/c1-3(4-2)8(5,6)7/h3-4H,1-2H3,(H2,5,6,7)
InChIKeyNRHFUNDSIRFZNQ-UHFFFAOYSA-N
XLogP-0.27
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.09
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(methylamino)ethylphosphonic acid 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

(2-Aminoethyl)phosphonic acid
CID 339
Ampropylfos
CID 178368
Hydrogen (2-azaniumylethyl)phosphonate
CID 5245507
1-(Aminoethyl)phosphonic acid
CID 97709
1-Aminoethylphosphonic acid, (R)-
CID 185992
(S)-(1-aminoethyl)phosphonic acid
CID 181769
1-(Dioxo-lambda~5~-phosphanyl)ethan-1-aminium
CID 6365712
Ampropylfos, (R)-
CID 2734886
2-(Dimethylaminoethyl)phosphonate
CID 172407795
Aminoethylphosphinic acid
CID 3018298
2-(Methylaminoethyl)phosphonate
CID 12557407
[1-Amino-2-(methylamino)ethyl]phosphonic acid
CID 15849848

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)ethylphosphonic acid?
The IUPAC name of 1-(methylamino)ethylphosphonic acid (CID 12596020) is 1-(methylamino)ethylphosphonic acid.
What is the SMILES notation for 1-(methylamino)ethylphosphonic acid?
The canonical SMILES for 1-(methylamino)ethylphosphonic acid is CNC(C)P(=O)(O)O.
What is the InChIKey of 1-(methylamino)ethylphosphonic acid?
The InChIKey is NRHFUNDSIRFZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO3P/c1-3(4-2)8(5,6)7/h3-4H,1-2H3,(H2,5,6,7).
What are the key properties of 1-(methylamino)ethylphosphonic acid?
1-(methylamino)ethylphosphonic acid has a molecular weight of 139.09 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)ethylphosphonic acid is sourced from PubChem (CID 12596020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).