(2-aminopropylamino)methylphosphonic acid

C4H13N2O3P — CID 174921252

IUPAC(2-aminopropylamino)methylphosphonic acid
SMILESCC(N)CNCP(=O)(O)O
InChIInChI=1S/C4H13N2O3P/c1-4(5)2-6-3-10(7,8)9/h4,6H,2-3,5H2,1H3,(H2,7,8,9)
InChIKeyBNZWNVVJGNVEAY-UHFFFAOYSA-N
MW168.13 g/mol
LogP-0.94
Rot. Bonds4

About (2-aminopropylamino)methylphosphonic acid

(2-aminopropylamino)methylphosphonic acid (PubChem CID 174921252) has the molecular formula C4H13N2O3P and a molecular weight of 168.13 g/mol. Its IUPAC name is (2-aminopropylamino)methylphosphonic acid.

Molecular Properties

Compound Name(2-aminopropylamino)methylphosphonic acid
PubChem CID174921252
Molecular FormulaC4H13N2O3P
Molecular Weight168.13 g/mol
Exact Mass168.07
IUPAC Name(2-aminopropylamino)methylphosphonic acid
SMILESCC(N)CNCP(=O)(O)O
InChIInChI=1S/C4H13N2O3P/c1-4(5)2-6-3-10(7,8)9/h4,6H,2-3,5H2,1H3,(H2,7,8,9)
InChIKeyBNZWNVVJGNVEAY-UHFFFAOYSA-N
XLogP-0.94
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-aminopropyl]phosphonic acid
CID 92524852
(hydroxymethylamino)methylphosphonic acid
CID 20673096
[(2-aminoacetyl)amino]methylphosphonic acid;propan-2-amine
CID 161473833
[(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid
CID 13338650
[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
CID 88516256
methyl 2-(2-aminopropylamino)acetate
CID 54010376
[[(2R)-2-aminopropyl]amino]methanethiol
CID 163875264
calcium;hydride;2-(phosphonomethylamino)acetic acid
CID 173098148
ethane;1-N-ethylpropane-1,2-diamine;propane
CID 145389769
potassium;azane;hydride;2-(phosphonomethylamino)acetic acid
CID 173095568
N'-(2-aminopropyl)-2-methylpropane-1,3-diamine
CID 168896832
guanidine;phosphoric acid;propane-1,2-diamine
CID 87429933

Frequently Asked Questions

What is the IUPAC name of (2-aminopropylamino)methylphosphonic acid?
The IUPAC name of (2-aminopropylamino)methylphosphonic acid (CID 174921252) is (2-aminopropylamino)methylphosphonic acid.
What is the SMILES notation for (2-aminopropylamino)methylphosphonic acid?
The canonical SMILES for (2-aminopropylamino)methylphosphonic acid is CC(N)CNCP(=O)(O)O.
What is the InChIKey of (2-aminopropylamino)methylphosphonic acid?
The InChIKey is BNZWNVVJGNVEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N2O3P/c1-4(5)2-6-3-10(7,8)9/h4,6H,2-3,5H2,1H3,(H2,7,8,9).
What are the key properties of (2-aminopropylamino)methylphosphonic acid?
(2-aminopropylamino)methylphosphonic acid has a molecular weight of 168.13 g/mol, XLogP of -0.94, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminopropylamino)methylphosphonic acid is sourced from PubChem (CID 174921252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).