(propan-2-ylamino)phosphonic acid;hydrochloride

C3H11ClNO3P — CID 174838389

IUPAC(propan-2-ylamino)phosphonic acid;hydrochloride
SMILESCC(C)NP(=O)(O)O.Cl
InChIInChI=1S/C3H10NO3P.ClH/c1-3(2)4-8(5,6)7;/h3H,1-2H3,(H3,4,5,6,7);1H
InChIKeyKKUJOLYOWHFOFM-UHFFFAOYSA-N
MW175.55 g/mol
LogP0.50
Rot. Bonds2

About (propan-2-ylamino)phosphonic acid;hydrochloride

(propan-2-ylamino)phosphonic acid;hydrochloride (PubChem CID 174838389) has the molecular formula C3H11ClNO3P and a molecular weight of 175.55 g/mol. Its IUPAC name is (propan-2-ylamino)phosphonic acid;hydrochloride.

Molecular Properties

Compound Name(propan-2-ylamino)phosphonic acid;hydrochloride
PubChem CID174838389
Molecular FormulaC3H11ClNO3P
Molecular Weight175.55 g/mol
Exact Mass175.02
IUPAC Name(propan-2-ylamino)phosphonic acid;hydrochloride
SMILESCC(C)NP(=O)(O)O.Cl
InChIInChI=1S/C3H10NO3P.ClH/c1-3(2)4-8(5,6)7;/h3H,1-2H3,(H3,4,5,6,7);1H
InChIKeyKKUJOLYOWHFOFM-UHFFFAOYSA-N
XLogP0.50
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.55
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (propan-2-ylamino)phosphonic acid;hydrochloride?
The IUPAC name of (propan-2-ylamino)phosphonic acid;hydrochloride (CID 174838389) is (propan-2-ylamino)phosphonic acid;hydrochloride.
What is the SMILES notation for (propan-2-ylamino)phosphonic acid;hydrochloride?
The canonical SMILES for (propan-2-ylamino)phosphonic acid;hydrochloride is CC(C)NP(=O)(O)O.Cl.
What is the InChIKey of (propan-2-ylamino)phosphonic acid;hydrochloride?
The InChIKey is KKUJOLYOWHFOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO3P.ClH/c1-3(2)4-8(5,6)7;/h3H,1-2H3,(H3,4,5,6,7);1H.
What are the key properties of (propan-2-ylamino)phosphonic acid;hydrochloride?
(propan-2-ylamino)phosphonic acid;hydrochloride has a molecular weight of 175.55 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (propan-2-ylamino)phosphonic acid;hydrochloride is sourced from PubChem (CID 174838389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).