[1-amino-2-(2-methylpropylamino)ethyl]phosphonic acid

C6H17N2O3P — CID 127048872

IUPAC[1-amino-2-(2-methylpropylamino)ethyl]phosphonic acid
SMILESCC(C)CNCC(N)P(=O)(O)O
InChIInChI=1S/C6H17N2O3P/c1-5(2)3-8-4-6(7)12(9,10)11/h5-6,8H,3-4,7H2,1-2H3,(H2,9,10,11)
InChIKeyBMIDTGOWAMFSGD-UHFFFAOYSA-N
MW196.19 g/mol
LogP-0.31
Rot. Bonds5

About [1-amino-2-(2-methylpropylamino)ethyl]phosphonic acid

[1-amino-2-(2-methylpropylamino)ethyl]phosphonic acid (PubChem CID 127048872) has the molecular formula C6H17N2O3P and a molecular weight of 196.19 g/mol. Its IUPAC name is [1-amino-2-(2-methylpropylamino)ethyl]phosphonic acid.

Molecular Properties

Compound Name[1-amino-2-(2-methylpropylamino)ethyl]phosphonic acid
PubChem CID127048872
Molecular FormulaC6H17N2O3P
Molecular Weight196.19 g/mol
Exact Mass196.10
IUPAC Name[1-amino-2-(2-methylpropylamino)ethyl]phosphonic acid
SMILESCC(C)CNCC(N)P(=O)(O)O
InChIInChI=1S/C6H17N2O3P/c1-5(2)3-8-4-6(7)12(9,10)11/h5-6,8H,3-4,7H2,1-2H3,(H2,9,10,11)
InChIKeyBMIDTGOWAMFSGD-UHFFFAOYSA-N
XLogP-0.31
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-amino-2-(2-methylpropylamino)ethyl]phosphonic acid?
The IUPAC name of [1-amino-2-(2-methylpropylamino)ethyl]phosphonic acid (CID 127048872) is [1-amino-2-(2-methylpropylamino)ethyl]phosphonic acid.
What is the SMILES notation for [1-amino-2-(2-methylpropylamino)ethyl]phosphonic acid?
The canonical SMILES for [1-amino-2-(2-methylpropylamino)ethyl]phosphonic acid is CC(C)CNCC(N)P(=O)(O)O.
What is the InChIKey of [1-amino-2-(2-methylpropylamino)ethyl]phosphonic acid?
The InChIKey is BMIDTGOWAMFSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N2O3P/c1-5(2)3-8-4-6(7)12(9,10)11/h5-6,8H,3-4,7H2,1-2H3,(H2,9,10,11).
What are the key properties of [1-amino-2-(2-methylpropylamino)ethyl]phosphonic acid?
[1-amino-2-(2-methylpropylamino)ethyl]phosphonic acid has a molecular weight of 196.19 g/mol, XLogP of -0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-(2-methylpropylamino)ethyl]phosphonic acid is sourced from PubChem (CID 127048872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).