propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate

C8H18NO2PS — CID 167499810

IUPACpropan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate
SMILESCC(C)OC(=O)[C@@H](C)NP(C)(C)=S
InChIInChI=1S/C8H18NO2PS/c1-6(2)11-8(10)7(3)9-12(4,5)13/h6-7H,1-5H3,(H,9,13)/t7-/m1/s1
InChIKeyWWCYXRZCJRYONC-SSDOTTSWSA-N
MW223.28 g/mol
LogP1.57
Rot. Bonds4

About propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate

propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate (PubChem CID 167499810) has the molecular formula C8H18NO2PS and a molecular weight of 223.28 g/mol. Its IUPAC name is propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate
PubChem CID167499810
Molecular FormulaC8H18NO2PS
Molecular Weight223.28 g/mol
Exact Mass223.08
IUPAC Namepropan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate
SMILESCC(C)OC(=O)[C@@H](C)NP(C)(C)=S
InChIInChI=1S/C8H18NO2PS/c1-6(2)11-8(10)7(3)9-12(4,5)13/h6-7H,1-5H3,(H,9,13)/t7-/m1/s1
InChIKeyWWCYXRZCJRYONC-SSDOTTSWSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.57
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

propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate
CID 87153753
propan-2-yl (2S)-2-(iodoamino)propanoate
CID 122534209
propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate
CID 174884587
propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542
propan-2-yl (2S)-2-[[methyl(phenoxy)phosphoryl]amino]propanoate
CID 58463507
[methyl-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 145072882
methoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium
CID 90399130
[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid
CID 144985569
propan-2-yl 2-(methylphosphanylamino)propanoate
CID 145444440
propan-2-yl (2S)-2-(ethylamino)propanoate
CID 134571850
propan-2-yl (2S)-2-(diphenoxyphosphorylamino)propanoate
CID 90392548
propan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate
CID 170045491

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate?
The IUPAC name of propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate (CID 167499810) is propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate.
What is the SMILES notation for propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate?
The canonical SMILES for propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate is CC(C)OC(=O)[C@@H](C)NP(C)(C)=S.
What is the InChIKey of propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate?
The InChIKey is WWCYXRZCJRYONC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H18NO2PS/c1-6(2)11-8(10)7(3)9-12(4,5)13/h6-7H,1-5H3,(H,9,13)/t7-/m1/s1.
What are the key properties of propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate?
propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate has a molecular weight of 223.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate is sourced from PubChem (CID 167499810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).