(2-amino-1-phosphonopropan-2-yl)phosphonic acid

C3H11NO6P2 — CID 13087688

IUPAC(2-amino-1-phosphonopropan-2-yl)phosphonic acid
SMILESCC(N)(CP(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C3H11NO6P2/c1-3(4,12(8,9)10)2-11(5,6)7/h2,4H2,1H3,(H2,5,6,7)(H2,8,9,10)
InChIKeyCQAWXHKHUWIXBN-UHFFFAOYSA-N
MW219.07 g/mol
LogP-0.98
Rot. Bonds3

About (2-amino-1-phosphonopropan-2-yl)phosphonic acid

(2-amino-1-phosphonopropan-2-yl)phosphonic acid (PubChem CID 13087688) has the molecular formula C3H11NO6P2 and a molecular weight of 219.07 g/mol. Its IUPAC name is (2-amino-1-phosphonopropan-2-yl)phosphonic acid.

Molecular Properties

Compound Name(2-amino-1-phosphonopropan-2-yl)phosphonic acid
PubChem CID13087688
Molecular FormulaC3H11NO6P2
Molecular Weight219.07 g/mol
Exact Mass219.01
IUPAC Name(2-amino-1-phosphonopropan-2-yl)phosphonic acid
SMILESCC(N)(CP(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C3H11NO6P2/c1-3(4,12(8,9)10)2-11(5,6)7/h2,4H2,1H3,(H2,5,6,7)(H2,8,9,10)
InChIKeyCQAWXHKHUWIXBN-UHFFFAOYSA-N
XLogP-0.98
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 5-0.98
H-Bond Donors ≤ 55
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 (2-amino-1-phosphonopropan-2-yl)phosphonic acid?
The IUPAC name of (2-amino-1-phosphonopropan-2-yl)phosphonic acid (CID 13087688) is (2-amino-1-phosphonopropan-2-yl)phosphonic acid.
What is the SMILES notation for (2-amino-1-phosphonopropan-2-yl)phosphonic acid?
The canonical SMILES for (2-amino-1-phosphonopropan-2-yl)phosphonic acid is CC(N)(CP(=O)(O)O)P(=O)(O)O.
What is the InChIKey of (2-amino-1-phosphonopropan-2-yl)phosphonic acid?
The InChIKey is CQAWXHKHUWIXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11NO6P2/c1-3(4,12(8,9)10)2-11(5,6)7/h2,4H2,1H3,(H2,5,6,7)(H2,8,9,10).
What are the key properties of (2-amino-1-phosphonopropan-2-yl)phosphonic acid?
(2-amino-1-phosphonopropan-2-yl)phosphonic acid has a molecular weight of 219.07 g/mol, XLogP of -0.98, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-phosphonopropan-2-yl)phosphonic acid is sourced from PubChem (CID 13087688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).