methyl (2R)-2-(dichlorophosphinothioylamino)propanoate

C4H8Cl2NO2PS — CID 10868283

IUPACmethyl (2R)-2-(dichlorophosphinothioylamino)propanoate
SMILESCOC(=O)[C@@H](C)NP(=S)(Cl)Cl
InChIInChI=1S/C4H8Cl2NO2PS/c1-3(4(8)9-2)7-10(5,6)11/h3H,1-2H3,(H,7,11)/t3-/m1/s1
InChIKeyUXKVOPULAHMBCG-GSVOUGTGSA-N
MW236.06 g/mol
LogP1.84
Rot. Bonds3

About methyl (2R)-2-(dichlorophosphinothioylamino)propanoate

methyl (2R)-2-(dichlorophosphinothioylamino)propanoate (PubChem CID 10868283) has the molecular formula C4H8Cl2NO2PS and a molecular weight of 236.06 g/mol. Its IUPAC name is methyl (2R)-2-(dichlorophosphinothioylamino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(dichlorophosphinothioylamino)propanoate
PubChem CID10868283
Molecular FormulaC4H8Cl2NO2PS
Molecular Weight236.06 g/mol
Exact Mass234.94
IUPAC Namemethyl (2R)-2-(dichlorophosphinothioylamino)propanoate
SMILESCOC(=O)[C@@H](C)NP(=S)(Cl)Cl
InChIInChI=1S/C4H8Cl2NO2PS/c1-3(4(8)9-2)7-10(5,6)11/h3H,1-2H3,(H,7,11)/t3-/m1/s1
InChIKeyUXKVOPULAHMBCG-GSVOUGTGSA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate
CID 15539826
[(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid
CID 174391031
methyl (2S)-2-[bis(2-cyanoethoxy)phosphinothioylamino]propanoate
CID 165352885
methyl 2-[[2-cyanoethoxy(hydroxy)phosphinothioyl]amino]propanoate
CID 23420320
propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate
CID 174884587
methyl (2S)-2-(fluoroamino)propanoate
CID 141384142
propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate
CID 87153753
propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate
CID 167499810
methyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate
CID 154954484
methyl 2-(2-chloropropanoylamino)propanoate
CID 60780321
(1-methoxy-1-oxopropan-2-yl)carbamodithioic acid
CID 102077472
methyl (2R)-2-acetamidopropanoate
CID 6951031

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(dichlorophosphinothioylamino)propanoate?
The IUPAC name of methyl (2R)-2-(dichlorophosphinothioylamino)propanoate (CID 10868283) is methyl (2R)-2-(dichlorophosphinothioylamino)propanoate.
What is the SMILES notation for methyl (2R)-2-(dichlorophosphinothioylamino)propanoate?
The canonical SMILES for methyl (2R)-2-(dichlorophosphinothioylamino)propanoate is COC(=O)[C@@H](C)NP(=S)(Cl)Cl.
What is the InChIKey of methyl (2R)-2-(dichlorophosphinothioylamino)propanoate?
The InChIKey is UXKVOPULAHMBCG-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H8Cl2NO2PS/c1-3(4(8)9-2)7-10(5,6)11/h3H,1-2H3,(H,7,11)/t3-/m1/s1.
What are the key properties of methyl (2R)-2-(dichlorophosphinothioylamino)propanoate?
methyl (2R)-2-(dichlorophosphinothioylamino)propanoate has a molecular weight of 236.06 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(dichlorophosphinothioylamino)propanoate is sourced from PubChem (CID 10868283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).