methyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-3-phenylpropanoate

C20H24NO5P — CID 86585562

IUPACmethyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)N1CCCOP1(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H24NO5P/c1-24-17-9-11-18(12-10-17)27(23)21(13-6-14-26-27)19(20(22)25-2)15-16-7-4-3-5-8-16/h3-5,7-12,19H,6,13-15H2,1-2H3
InChIKeyWUKRWVUBABCIKZ-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.02
Rot. Bonds6

About methyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-3-phenylpropanoate

methyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-3-phenylpropanoate (PubChem CID 86585562) has the molecular formula C20H24NO5P and a molecular weight of 389.39 g/mol. Its IUPAC name is methyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-3-phenylpropanoate
PubChem CID86585562
Molecular FormulaC20H24NO5P
Molecular Weight389.39 g/mol
Exact Mass389.14
IUPAC Namemethyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)N1CCCOP1(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H24NO5P/c1-24-17-9-11-18(12-10-17)27(23)21(13-6-14-26-27)19(20(22)25-2)15-16-7-4-3-5-8-16/h3-5,7-12,19H,6,13-15H2,1-2H3
InChIKeyWUKRWVUBABCIKZ-UHFFFAOYSA-N
XLogP3.02
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-4-methylpentanoate
CID 91115333
2-[2-(4-methoxyphenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]pentanoic acid
CID 18630468
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
methyl (2S)-2-[4-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]piperazin-1-yl]-3-phenylpropanoate
CID 11090885
methyl 2-(2-chloro-2-oxo-5H-1,2λ5-azaphosphol-1-yl)-3-phenylpropanoate
CID 22094967
methyl (2R)-2-(2,5-dihydropyrrol-1-yl)-3-phenylpropanoate
CID 135574815
methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanoate
CID 3288684
N-hydroxy-2-[2-oxo-2-(4-phenylmethoxyphenyl)-1,3,2λ5-oxazaphosphepan-3-yl]acetamide
CID 10134965
3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid
CID 82091210
2-[2-(4-methoxyphenyl)-2-oxo-4-propan-2-yl-1,3,2λ5-oxazaphosphepan-3-yl]acetate
CID 22677687
1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine
CID 101409454
4-methoxy-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 5021960

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-3-phenylpropanoate (CID 86585562) is methyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)N1CCCOP1(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-3-phenylpropanoate?
The InChIKey is WUKRWVUBABCIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24NO5P/c1-24-17-9-11-18(12-10-17)27(23)21(13-6-14-26-27)19(20(22)25-2)15-16-7-4-3-5-8-16/h3-5,7-12,19H,6,13-15H2,1-2H3.
What are the key properties of methyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-3-phenylpropanoate?
methyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-3-phenylpropanoate has a molecular weight of 389.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-3-phenylpropanoate is sourced from PubChem (CID 86585562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).