propan-2-yl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-2-phosphanylacetate

C11H16ClNO4P2 — CID 146559026

IUPACpropan-2-yl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-2-phosphanylacetate
SMILESCC(C)OC(=O)[C@H](P)NP(=O)(Cl)Oc1ccccc1
InChIInChI=1S/C11H16ClNO4P2/c1-8(2)16-11(14)10(18)13-19(12,15)17-9-6-4-3-5-7-9/h3-8,10H,18H2,1-2H3,(H,13,15)/t10-,19?/m0/s1
InChIKeyBWMCTRCKJXMDAF-IHBJSSOOSA-N
MW323.65 g/mol
LogP3.15
Rot. Bonds6

About propan-2-yl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-2-phosphanylacetate

propan-2-yl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-2-phosphanylacetate (PubChem CID 146559026) has the molecular formula C11H16ClNO4P2 and a molecular weight of 323.65 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-2-phosphanylacetate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-2-phosphanylacetate
PubChem CID146559026
Molecular FormulaC11H16ClNO4P2
Molecular Weight323.65 g/mol
Exact Mass323.02
IUPAC Namepropan-2-yl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-2-phosphanylacetate
SMILESCC(C)OC(=O)[C@H](P)NP(=O)(Cl)Oc1ccccc1
InChIInChI=1S/C11H16ClNO4P2/c1-8(2)16-11(14)10(18)13-19(12,15)17-9-6-4-3-5-7-9/h3-8,10H,18H2,1-2H3,(H,13,15)/t10-,19?/m0/s1
InChIKeyBWMCTRCKJXMDAF-IHBJSSOOSA-N
XLogP3.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.65
LogP ≤ 53.15
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-(diphenoxyphosphorylamino)propanoate
CID 90392548
propan-2-yl (2S)-2-[[methyl(phenoxy)phosphoryl]amino]propanoate
CID 58463507
[(2S)-2-[[chloro(phenoxy)phosphoryl]amino]propyl] butanoate
CID 59185393
propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 72578666
propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate
CID 90055745
dimethyl (2R)-2-[[chloro(phenoxy)phosphoryl]amino]butanedioate
CID 11994048
(5S)-5-[[chloro(phenoxy)phosphoryl]amino]-4-methylhexan-3-one
CID 122518408
propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 123570379
propan-2-yl 2-[[phenoxy(propan-2-yloxymethyl)phosphoryl]amino]propanoate
CID 90440549
1-chloro-4-dichlorophosphoryloxybenzene;methane;phosphoryl trichloride;propan-2-yl (2S)-2-[[chloro-(4-chlorophenoxy)phosphoryl]amino]propanoate
CID 161104099
cyclobutyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate
CID 72517256
pentadecan-8-yl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]propanoate
CID 168741609

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-2-phosphanylacetate?
The IUPAC name of propan-2-yl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-2-phosphanylacetate (CID 146559026) is propan-2-yl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-2-phosphanylacetate.
What is the SMILES notation for propan-2-yl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-2-phosphanylacetate?
The canonical SMILES for propan-2-yl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-2-phosphanylacetate is CC(C)OC(=O)[C@H](P)NP(=O)(Cl)Oc1ccccc1.
What is the InChIKey of propan-2-yl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-2-phosphanylacetate?
The InChIKey is BWMCTRCKJXMDAF-IHBJSSOOSA-N. The full InChI is InChI=1S/C11H16ClNO4P2/c1-8(2)16-11(14)10(18)13-19(12,15)17-9-6-4-3-5-7-9/h3-8,10H,18H2,1-2H3,(H,13,15)/t10-,19?/m0/s1.
What are the key properties of propan-2-yl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-2-phosphanylacetate?
propan-2-yl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-2-phosphanylacetate has a molecular weight of 323.65 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-2-phosphanylacetate is sourced from PubChem (CID 146559026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).