propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate

C12H24ClN2O5P — CID 87153753

IUPACpropan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate
SMILESCC(C)OC(=O)[C@H](C)NP(=O)(Cl)N[C@@H](C)C(=O)OC(C)C
InChIInChI=1S/C12H24ClN2O5P/c1-7(2)19-11(16)9(5)14-21(13,18)15-10(6)12(17)20-8(3)4/h7-10H,1-6H3,(H2,14,15,18)/t9-,10-/m0/s1
InChIKeyXVAUJNKRBKFGND-UWVGGRQHSA-N
MW342.76 g/mol
LogP2.19
Rot. Bonds8

About propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate

propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate (PubChem CID 87153753) has the molecular formula C12H24ClN2O5P and a molecular weight of 342.76 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate
PubChem CID87153753
Molecular FormulaC12H24ClN2O5P
Molecular Weight342.76 g/mol
Exact Mass342.11
IUPAC Namepropan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate
SMILESCC(C)OC(=O)[C@H](C)NP(=O)(Cl)N[C@@H](C)C(=O)OC(C)C
InChIInChI=1S/C12H24ClN2O5P/c1-7(2)19-11(16)9(5)14-21(13,18)15-10(6)12(17)20-8(3)4/h7-10H,1-6H3,(H2,14,15,18)/t9-,10-/m0/s1
InChIKeyXVAUJNKRBKFGND-UWVGGRQHSA-N
XLogP2.19
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(diphenoxyphosphorylamino)propanoate
CID 90392548
propan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate
CID 170045491
propan-2-yl (2S)-2-(iodoamino)propanoate
CID 122534209
1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate
CID 161104099
[(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid
CID 174391031
propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542
chloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid
CID 123139392
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
propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 72578666

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate?
The IUPAC name of propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate (CID 87153753) is propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate.
What is the SMILES notation for propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate?
The canonical SMILES for propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate is CC(C)OC(=O)[C@H](C)NP(=O)(Cl)N[C@@H](C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate?
The InChIKey is XVAUJNKRBKFGND-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H24ClN2O5P/c1-7(2)19-11(16)9(5)14-21(13,18)15-10(6)12(17)20-8(3)4/h7-10H,1-6H3,(H2,14,15,18)/t9-,10-/m0/s1.
What are the key properties of propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate?
propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate has a molecular weight of 342.76 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate is sourced from PubChem (CID 87153753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).