[(S)-amino-(2-chlorophenyl)methyl]phosphonic acid

C7H9ClNO3P — CID 101067310

IUPAC[(S)-amino-(2-chlorophenyl)methyl]phosphonic acid
SMILESN[C@H](c1ccccc1Cl)P(=O)(O)O
InChIInChI=1S/C7H9ClNO3P/c8-6-4-2-1-3-5(6)7(9)13(10,11)12/h1-4,7H,9H2,(H2,10,11,12)/t7-/m0/s1
InChIKeyHPVJMDWKOFMDCY-ZETCQYMHSA-N
MW221.58 g/mol
LogP1.48
Rot. Bonds2

About [(S)-amino-(2-chlorophenyl)methyl]phosphonic acid

[(S)-amino-(2-chlorophenyl)methyl]phosphonic acid (PubChem CID 101067310) has the molecular formula C7H9ClNO3P and a molecular weight of 221.58 g/mol. Its IUPAC name is [(S)-amino-(2-chlorophenyl)methyl]phosphonic acid.

Molecular Properties

Compound Name[(S)-amino-(2-chlorophenyl)methyl]phosphonic acid
PubChem CID101067310
Molecular FormulaC7H9ClNO3P
Molecular Weight221.58 g/mol
Exact Mass221.00
IUPAC Name[(S)-amino-(2-chlorophenyl)methyl]phosphonic acid
SMILESN[C@H](c1ccccc1Cl)P(=O)(O)O
InChIInChI=1S/C7H9ClNO3P/c8-6-4-2-1-3-5(6)7(9)13(10,11)12/h1-4,7H,9H2,(H2,10,11,12)/t7-/m0/s1
InChIKeyHPVJMDWKOFMDCY-ZETCQYMHSA-N
XLogP1.48
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.58
LogP ≤ 51.48
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

[2-amino-1-(2-chlorophenyl)ethyl]phosphonic acid;hydrochloride
CID 142688208
[(R)-amino-(3,4-dichlorophenyl)methyl]phosphonic acid
CID 11086348
(R)-(2-chlorophenyl)-diphenylphosphorylmethanol
CID 139074182
2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 66206959
4-amino-4-(2-chlorophenyl)butan-2-one
CID 134204644
2-amino-2-(2-chlorophenyl)-N,N-dimethylacetamide
CID 83533893
2-amino-2-(2-chlorophenyl)acetohydrazide;hydrochloride
CID 170913938
(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride
CID 71755470
2-(2-chlorophenyl)-2-fluoroacetamide
CID 115017416
(1S)-1-(2-chlorophenyl)prop-2-yn-1-amine
CID 97000228
1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one
CID 172741718
(3S)-3-amino-3-(2-chlorophenyl)-2,2-difluoropropanoic acid
CID 53487758

Frequently Asked Questions

What is the IUPAC name of [(S)-amino-(2-chlorophenyl)methyl]phosphonic acid?
The IUPAC name of [(S)-amino-(2-chlorophenyl)methyl]phosphonic acid (CID 101067310) is [(S)-amino-(2-chlorophenyl)methyl]phosphonic acid.
What is the SMILES notation for [(S)-amino-(2-chlorophenyl)methyl]phosphonic acid?
The canonical SMILES for [(S)-amino-(2-chlorophenyl)methyl]phosphonic acid is N[C@H](c1ccccc1Cl)P(=O)(O)O.
What is the InChIKey of [(S)-amino-(2-chlorophenyl)methyl]phosphonic acid?
The InChIKey is HPVJMDWKOFMDCY-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H9ClNO3P/c8-6-4-2-1-3-5(6)7(9)13(10,11)12/h1-4,7H,9H2,(H2,10,11,12)/t7-/m0/s1.
What are the key properties of [(S)-amino-(2-chlorophenyl)methyl]phosphonic acid?
[(S)-amino-(2-chlorophenyl)methyl]phosphonic acid has a molecular weight of 221.58 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-amino-(2-chlorophenyl)methyl]phosphonic acid is sourced from PubChem (CID 101067310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).