methyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate

C7H15ClNO3PS — CID 15539826

IUPACmethyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate
SMILESCOC(=O)C(C)NP(=S)(Cl)OC(C)C
InChIInChI=1S/C7H15ClNO3PS/c1-5(2)12-13(8,14)9-6(3)7(10)11-4/h5-6H,1-4H3,(H,9,14)
InChIKeyKIXVVSMBZGOWFJ-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.03
Rot. Bonds5

About methyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate

methyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate (PubChem CID 15539826) has the molecular formula C7H15ClNO3PS and a molecular weight of 259.70 g/mol. Its IUPAC name is methyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate
PubChem CID15539826
Molecular FormulaC7H15ClNO3PS
Molecular Weight259.70 g/mol
Exact Mass259.02
IUPAC Namemethyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate
SMILESCOC(=O)C(C)NP(=S)(Cl)OC(C)C
InChIInChI=1S/C7H15ClNO3PS/c1-5(2)12-13(8,14)9-6(3)7(10)11-4/h5-6H,1-4H3,(H,9,14)
InChIKeyKIXVVSMBZGOWFJ-UHFFFAOYSA-N
XLogP2.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-(dichlorophosphinothioylamino)propanoate
CID 10868283
[(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid
CID 174391031
propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate
CID 174884587
propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate
CID 167499810
propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate
CID 87153753
methyl 2-[[2-cyanoethoxy(hydroxy)phosphinothioyl]amino]propanoate
CID 23420320
ethyl (2S)-2-[[chloro(methoxymethyl)phosphoryl]amino]propanoate
CID 130324026
methyl (2S)-2-[bis(2-cyanoethoxy)phosphinothioylamino]propanoate
CID 165352885
methyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate
CID 101152507
methyl (2S)-2-(fluoroamino)propanoate
CID 141384142
methyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate
CID 154954484
methyl 2-(2-chloropropanoylamino)propanoate
CID 60780321

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate?
The IUPAC name of methyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate (CID 15539826) is methyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate?
The canonical SMILES for methyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate is COC(=O)C(C)NP(=S)(Cl)OC(C)C.
What is the InChIKey of methyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate?
The InChIKey is KIXVVSMBZGOWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClNO3PS/c1-5(2)12-13(8,14)9-6(3)7(10)11-4/h5-6H,1-4H3,(H,9,14).
What are the key properties of methyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate?
methyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate has a molecular weight of 259.70 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate is sourced from PubChem (CID 15539826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).