[(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride

C7H11ClNO3P — CID 138987682

IUPAC[(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride
SMILESCl.N[C@H](c1ccccc1)P(=O)(O)O
InChIInChI=1S/C7H10NO3P.ClH/c8-7(12(9,10)11)6-4-2-1-3-5-6;/h1-5,7H,8H2,(H2,9,10,11);1H/t7-;/m0./s1
InChIKeyNUTSMPODGJTHMF-FJXQXJEOSA-N
MW223.60 g/mol
LogP1.24
Rot. Bonds2

About [(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride

[(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride (PubChem CID 138987682) has the molecular formula C7H11ClNO3P and a molecular weight of 223.60 g/mol. Its IUPAC name is [(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride.

Molecular Properties

Compound Name[(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride
PubChem CID138987682
Molecular FormulaC7H11ClNO3P
Molecular Weight223.60 g/mol
Exact Mass223.02
IUPAC Name[(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride
SMILESCl.N[C@H](c1ccccc1)P(=O)(O)O
InChIInChI=1S/C7H10NO3P.ClH/c8-7(12(9,10)11)6-4-2-1-3-5-6;/h1-5,7H,8H2,(H2,9,10,11);1H/t7-;/m0./s1
InChIKeyNUTSMPODGJTHMF-FJXQXJEOSA-N
XLogP1.24
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.60
LogP ≤ 51.24
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

[amino-(4-phenylphenyl)methyl]phosphonic acid
CID 4568933
[amino-[3-[amino(phosphono)methyl]phenyl]methyl]phosphonic acid
CID 15183155
dimethylphosphoryl(phenyl)methanamine;hydrochloride
CID 155819704
diphenylmethanamine;phosphoric acid
CID 67153031
[amino-(4-fluorophenyl)methyl]phosphonic acid
CID 15255733
(3-amino-3-phenyl-1-phosphonopropyl)phosphonic acid
CID 18757018
[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
[bromo(phenyl)methyl]phosphonic acid
CID 11736830
[amino-[4-(diaminomethylideneamino)phenyl]methyl]phosphonic acid
CID 71734417
[amino(phenyl)methyl]-butan-2-yloxyphosphinic acid
CID 87221118
[(S)-amino-(2-chlorophenyl)methyl]phosphonic acid
CID 101067310
(5-amino-5-phenylpentyl)phosphonic acid
CID 138720768

Frequently Asked Questions

What is the IUPAC name of [(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride?
The IUPAC name of [(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride (CID 138987682) is [(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride.
What is the SMILES notation for [(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride?
The canonical SMILES for [(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride is Cl.N[C@H](c1ccccc1)P(=O)(O)O.
What is the InChIKey of [(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride?
The InChIKey is NUTSMPODGJTHMF-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H10NO3P.ClH/c8-7(12(9,10)11)6-4-2-1-3-5-6;/h1-5,7H,8H2,(H2,9,10,11);1H/t7-;/m0./s1.
What are the key properties of [(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride?
[(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride has a molecular weight of 223.60 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride is sourced from PubChem (CID 138987682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).