2-(methylamino)propylphosphonic acid

C4H12NO3P — CID 12557413

IUPAC2-(methylamino)propylphosphonic acid
SMILESCNC(C)CP(=O)(O)O
InChIInChI=1S/C4H12NO3P/c1-4(5-2)3-9(6,7)8/h4-5H,3H2,1-2H3,(H2,6,7,8)
InChIKeyWTZRXKUWOBEBHR-UHFFFAOYSA-N
MW153.12 g/mol
LogP-0.23
Rot. Bonds3

About 2-(methylamino)propylphosphonic acid

2-(methylamino)propylphosphonic acid (PubChem CID 12557413) has the molecular formula C4H12NO3P and a molecular weight of 153.12 g/mol. Its IUPAC name is 2-(methylamino)propylphosphonic acid.

Molecular Properties

Compound Name2-(methylamino)propylphosphonic acid
PubChem CID12557413
Molecular FormulaC4H12NO3P
Molecular Weight153.12 g/mol
Exact Mass153.06
IUPAC Name2-(methylamino)propylphosphonic acid
SMILESCNC(C)CP(=O)(O)O
InChIInChI=1S/C4H12NO3P/c1-4(5-2)3-9(6,7)8/h4-5H,3H2,1-2H3,(H2,6,7,8)
InChIKeyWTZRXKUWOBEBHR-UHFFFAOYSA-N
XLogP-0.23
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(methylamino)propylphosphonic 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

(3-Amino-butyl)-phosphinic acid
CID 14362824
[2-(Isopropylamino)-1-phosphono-ethyl]phosphonic acid
CID 19689020
2-(Dimethylaminoethyl)phosphonate
CID 172407795
[1-Phosphono-2-(sec-butylamino)ethyl]phosphonic acid
CID 44451344
[(4R)-4-aminopentyl]phosphonic acid
CID 16760131
2-(Methylaminoethyl)phosphonate
CID 12557407
(3-(Methylamino)propyl)phosphonic acid
CID 12557429
[(Butan-2-ylamino)-phosphonomethyl]phosphonic acid
CID 11265121
[(4S)-4-aminopentyl]phosphonic acid
CID 16760130
[2-(Methylamino)ethyl]phosphonic acid
CID 281241
4-Aminopentylphosphonic acid
CID 12489054
[(3S)-3-aminobutyl]phosphonic acid
CID 16760129

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)propylphosphonic acid?
The IUPAC name of 2-(methylamino)propylphosphonic acid (CID 12557413) is 2-(methylamino)propylphosphonic acid.
What is the SMILES notation for 2-(methylamino)propylphosphonic acid?
The canonical SMILES for 2-(methylamino)propylphosphonic acid is CNC(C)CP(=O)(O)O.
What is the InChIKey of 2-(methylamino)propylphosphonic acid?
The InChIKey is WTZRXKUWOBEBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO3P/c1-4(5-2)3-9(6,7)8/h4-5H,3H2,1-2H3,(H2,6,7,8).
What are the key properties of 2-(methylamino)propylphosphonic acid?
2-(methylamino)propylphosphonic acid has a molecular weight of 153.12 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)propylphosphonic acid is sourced from PubChem (CID 12557413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).