propan-2-yl 2-[[chloro(phenylmethoxy)phosphoryl]amino]acetate

C12H17ClNO4P — CID 145372538

IUPACpropan-2-yl 2-[[chloro(phenylmethoxy)phosphoryl]amino]acetate
SMILESCC(C)OC(=O)CNP(=O)(Cl)OCc1ccccc1
InChIInChI=1S/C12H17ClNO4P/c1-10(2)18-12(15)8-14-19(13,16)17-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)
InChIKeyNNCNUALCYFOQQI-UHFFFAOYSA-N
MW305.70 g/mol
LogP3.09
Rot. Bonds7

About propan-2-yl 2-[[chloro(phenylmethoxy)phosphoryl]amino]acetate

propan-2-yl 2-[[chloro(phenylmethoxy)phosphoryl]amino]acetate (PubChem CID 145372538) has the molecular formula C12H17ClNO4P and a molecular weight of 305.70 g/mol. Its IUPAC name is propan-2-yl 2-[[chloro(phenylmethoxy)phosphoryl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[chloro(phenylmethoxy)phosphoryl]amino]acetate
PubChem CID145372538
Molecular FormulaC12H17ClNO4P
Molecular Weight305.70 g/mol
Exact Mass305.06
IUPAC Namepropan-2-yl 2-[[chloro(phenylmethoxy)phosphoryl]amino]acetate
SMILESCC(C)OC(=O)CNP(=O)(Cl)OCc1ccccc1
InChIInChI=1S/C12H17ClNO4P/c1-10(2)18-12(15)8-14-19(13,16)17-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)
InChIKeyNNCNUALCYFOQQI-UHFFFAOYSA-N
XLogP3.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.70
LogP ≤ 53.09
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

N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid
CID 147905510
ethane;N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid
CID 162736895
ethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate
CID 162736864
oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
propan-2-yl 2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenylmethoxyphosphoryl]amino]acetate
CID 134409236
propan-2-yl 2-[[2-methylsulfanylethyl(phenoxy)phosphoryl]amino]acetate
CID 123690303
[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene
CID 87190158
propan-2-yl (3R)-6-chloro-5-hydroxy-3-phenylmethoxyhexanoate
CID 89272962
propan-2-yl 2-(2-benzylsulfanylpropanoylamino)acetate
CID 71879043
ethane;phenol;propan-2-yl 2-(methylphosphanylamino)acetate
CID 145444503
propan-2-yl 2-(4-phenylmethoxyphenyl)acetate
CID 82550165
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[chloro(phenylmethoxy)phosphoryl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[chloro(phenylmethoxy)phosphoryl]amino]acetate (CID 145372538) is propan-2-yl 2-[[chloro(phenylmethoxy)phosphoryl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[chloro(phenylmethoxy)phosphoryl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[chloro(phenylmethoxy)phosphoryl]amino]acetate is CC(C)OC(=O)CNP(=O)(Cl)OCc1ccccc1.
What is the InChIKey of propan-2-yl 2-[[chloro(phenylmethoxy)phosphoryl]amino]acetate?
The InChIKey is NNCNUALCYFOQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClNO4P/c1-10(2)18-12(15)8-14-19(13,16)17-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16).
What are the key properties of propan-2-yl 2-[[chloro(phenylmethoxy)phosphoryl]amino]acetate?
propan-2-yl 2-[[chloro(phenylmethoxy)phosphoryl]amino]acetate has a molecular weight of 305.70 g/mol, XLogP of 3.09, 7 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(phenylmethoxy)phosphoryl]amino]acetate is sourced from PubChem (CID 145372538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).