propylaminomethylphosphonic acid

C4H12NO3P — CID 13171108

IUPACpropylaminomethylphosphonic acid
SMILESCCCNCP(=O)(O)O
InChIInChI=1S/C4H12NO3P/c1-2-3-5-4-9(6,7)8/h5H,2-4H2,1H3,(H2,6,7,8)
InChIKeyMWFXTGOTJMBMJI-UHFFFAOYSA-N
MW153.12 g/mol
LogP0.12
Rot. Bonds4

About propylaminomethylphosphonic acid

propylaminomethylphosphonic acid (PubChem CID 13171108) has the molecular formula C4H12NO3P and a molecular weight of 153.12 g/mol. Its IUPAC name is propylaminomethylphosphonic acid.

Molecular Properties

Compound Namepropylaminomethylphosphonic acid
PubChem CID13171108
Molecular FormulaC4H12NO3P
Molecular Weight153.12 g/mol
Exact Mass153.06
IUPAC Namepropylaminomethylphosphonic acid
SMILESCCCNCP(=O)(O)O
InChIInChI=1S/C4H12NO3P/c1-2-3-5-4-9(6,7)8/h5H,2-4H2,1H3,(H2,6,7,8)
InChIKeyMWFXTGOTJMBMJI-UHFFFAOYSA-N
XLogP0.12
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

P-(1-(Butylamino)-1-methylethyl)phosphinic acid
CID 72084
[2-(Propylamino)ethane-1,1-Diyl]bis(Phosphonic Acid)
CID 15390273
Butaphosphan
CID 6328684
[(Butylamino)methanediyl]bis(phosphonic acid)
CID 405730
[(Propylamino)methanediyl]bis(phosphonic acid)
CID 406063
2-(Dimethylaminoethyl)phosphonate
CID 172407795
[(2-Methylpropylamino)-phosphonomethyl]phosphonic acid
CID 450254
[1-Fluoro-1-phosphono-2-(propylamino)ethyl]phosphonic acid
CID 155549627
Aminomethyl(butylaminomethyl)phosphinic acid
CID 118735645
2-(Methylaminoethyl)phosphonate
CID 12557407
[1-Amino-2-(propylamino)ethyl]phosphonic acid
CID 86140993
Aminomethyl(propylaminomethyl)phosphinic acid
CID 118735644

Frequently Asked Questions

What is the IUPAC name of propylaminomethylphosphonic acid?
The IUPAC name of propylaminomethylphosphonic acid (CID 13171108) is propylaminomethylphosphonic acid.
What is the SMILES notation for propylaminomethylphosphonic acid?
The canonical SMILES for propylaminomethylphosphonic acid is CCCNCP(=O)(O)O.
What is the InChIKey of propylaminomethylphosphonic acid?
The InChIKey is MWFXTGOTJMBMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO3P/c1-2-3-5-4-9(6,7)8/h5H,2-4H2,1H3,(H2,6,7,8).
What are the key properties of propylaminomethylphosphonic acid?
propylaminomethylphosphonic acid has a molecular weight of 153.12 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propylaminomethylphosphonic acid is sourced from PubChem (CID 13171108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).