[(1R)-1-aminoethyl]phosphonic acid;hydrochloride

C2H9ClNO3P — CID 88516256

IUPAC[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
SMILESC[C@H](N)P(=O)(O)O.Cl
InChIInChI=1S/C2H8NO3P.ClH/c1-2(3)7(4,5)6;/h2H,3H2,1H3,(H2,4,5,6);1H/t2-;/m1./s1
InChIKeyKMDRURVKRYVYOL-HSHFZTNMSA-N
MW161.52 g/mol
LogP-0.11
Rot. Bonds1

About [(1R)-1-aminoethyl]phosphonic acid;hydrochloride

[(1R)-1-aminoethyl]phosphonic acid;hydrochloride (PubChem CID 88516256) has the molecular formula C2H9ClNO3P and a molecular weight of 161.52 g/mol. Its IUPAC name is [(1R)-1-aminoethyl]phosphonic acid;hydrochloride.

Molecular Properties

Compound Name[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
PubChem CID88516256
Molecular FormulaC2H9ClNO3P
Molecular Weight161.52 g/mol
Exact Mass161.00
IUPAC Name[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
SMILESC[C@H](N)P(=O)(O)O.Cl
InChIInChI=1S/C2H8NO3P.ClH/c1-2(3)7(4,5)6;/h2H,3H2,1H3,(H2,4,5,6);1H/t2-;/m1./s1
InChIKeyKMDRURVKRYVYOL-HSHFZTNMSA-N
XLogP-0.11
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.52
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-aminoethylphosphonic acid;dihydroxy(oxo)phosphanium;stannane;technetium
CID 173448755
[(2R)-2-aminopropyl]phosphonic acid
CID 92524852
1-aminoethyl(ethoxy)phosphinic acid;hydrochloride
CID 88714482
[(2R)-2-amino-3-methylbutyl]phosphonic acid
CID 102215252
[(4R)-4-amino-3-oxopentan-2-yl]phosphonic acid
CID 14541313
aminophosphonic acid;(2R)-2-aminopropanoic acid
CID 118047649
[(1S)-1-aminopropyl]phosphonic acid
CID 6994862
dihydrogen phosphate;tetramethylphosphanium
CID 71359633
[amino(phosphono)methyl]-trihydroxyphosphanium
CID 89151684
[(4S)-1,4-diamino-3-oxopentyl]phosphonic acid
CID 148549360
1-[[(2S)-2-aminopropanoyl]amino]ethylphosphonic acid
CID 12757031
[bis[(2S)-2-aminopropanoyl]amino]methylphosphonic acid
CID 87262460

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-aminoethyl]phosphonic acid;hydrochloride?
The IUPAC name of [(1R)-1-aminoethyl]phosphonic acid;hydrochloride (CID 88516256) is [(1R)-1-aminoethyl]phosphonic acid;hydrochloride.
What is the SMILES notation for [(1R)-1-aminoethyl]phosphonic acid;hydrochloride?
The canonical SMILES for [(1R)-1-aminoethyl]phosphonic acid;hydrochloride is C[C@H](N)P(=O)(O)O.Cl.
What is the InChIKey of [(1R)-1-aminoethyl]phosphonic acid;hydrochloride?
The InChIKey is KMDRURVKRYVYOL-HSHFZTNMSA-N. The full InChI is InChI=1S/C2H8NO3P.ClH/c1-2(3)7(4,5)6;/h2H,3H2,1H3,(H2,4,5,6);1H/t2-;/m1./s1.
What are the key properties of [(1R)-1-aminoethyl]phosphonic acid;hydrochloride?
[(1R)-1-aminoethyl]phosphonic acid;hydrochloride has a molecular weight of 161.52 g/mol, XLogP of -0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-aminoethyl]phosphonic acid;hydrochloride is sourced from PubChem (CID 88516256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).