propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate

C7H15ClNO4P — CID 174884587

IUPACpropan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate
SMILESCOP(=O)(Cl)NC(C)C(=O)OC(C)C
InChIInChI=1S/C7H15ClNO4P/c1-5(2)13-7(10)6(3)9-14(8,11)12-4/h5-6H,1-4H3,(H,9,11)
InChIKeyPROOEVPGNXTVIO-UHFFFAOYSA-N
MW243.63 g/mol
LogP1.91
Rot. Bonds5

About propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate

propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate (PubChem CID 174884587) has the molecular formula C7H15ClNO4P and a molecular weight of 243.63 g/mol. Its IUPAC name is propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate
PubChem CID174884587
Molecular FormulaC7H15ClNO4P
Molecular Weight243.63 g/mol
Exact Mass243.04
IUPAC Namepropan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate
SMILESCOP(=O)(Cl)NC(C)C(=O)OC(C)C
InChIInChI=1S/C7H15ClNO4P/c1-5(2)13-7(10)6(3)9-14(8,11)12-4/h5-6H,1-4H3,(H,9,11)
InChIKeyPROOEVPGNXTVIO-UHFFFAOYSA-N
XLogP1.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.63
LogP ≤ 51.91
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

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
1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate
CID 161104099
propan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate
CID 170045491
propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate
CID 90055745
[(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid
CID 174391031
methoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium
CID 90399130
propan-2-yl (2S)-2-(diphenoxyphosphorylamino)propanoate
CID 90392548
propan-2-yl (2S)-2-(iodoamino)propanoate
CID 122534209
methyl (2R)-2-(dichlorophosphinothioylamino)propanoate
CID 10868283
methyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate
CID 15539826
2-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]propanoic acid
CID 175138863

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate?
The IUPAC name of propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate (CID 174884587) is propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate.
What is the SMILES notation for propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate?
The canonical SMILES for propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate is COP(=O)(Cl)NC(C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate?
The InChIKey is PROOEVPGNXTVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClNO4P/c1-5(2)13-7(10)6(3)9-14(8,11)12-4/h5-6H,1-4H3,(H,9,11).
What are the key properties of propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate?
propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate has a molecular weight of 243.63 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate is sourced from PubChem (CID 174884587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).