5-(2-diphenylphosphorylethylamino)-3-methyl-5-oxopentanoic acid

C20H24NO4P — CID 166393763

IUPAC5-(2-diphenylphosphorylethylamino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24NO4P/c1-16(15-20(23)24)14-19(22)21-12-13-26(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,21,22)(H,23,24)
InChIKeyXOITXSFAMOMKQS-UHFFFAOYSA-N
MW373.39 g/mol
LogP2.62
Rot. Bonds9

About 5-(2-diphenylphosphorylethylamino)-3-methyl-5-oxopentanoic acid

5-(2-diphenylphosphorylethylamino)-3-methyl-5-oxopentanoic acid (PubChem CID 166393763) has the molecular formula C20H24NO4P and a molecular weight of 373.39 g/mol. Its IUPAC name is 5-(2-diphenylphosphorylethylamino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-diphenylphosphorylethylamino)-3-methyl-5-oxopentanoic acid
PubChem CID166393763
Molecular FormulaC20H24NO4P
Molecular Weight373.39 g/mol
Exact Mass373.14
IUPAC Name5-(2-diphenylphosphorylethylamino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24NO4P/c1-16(15-20(23)24)14-19(22)21-12-13-26(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,21,22)(H,23,24)
InChIKeyXOITXSFAMOMKQS-UHFFFAOYSA-N
XLogP2.62
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-oxo-5-(3-phenylmethoxypropylamino)pentanoic acid
CID 62965038
5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 55155984
5-[[2-[(dimethylamino)methyl]phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62964535
4-benzamido-3-methylbutanoic acid
CID 81064617
3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid
CID 62965446
5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62966087
3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid
CID 45126635
5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid
CID 79089982
N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide
CID 3607807
5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid
CID 62965238
5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methyl-5-oxopentanoic acid
CID 55155028
3-methyl-5-[2-(4-nitrophenyl)ethylamino]-5-oxopentanoic acid
CID 62965783

Frequently Asked Questions

What is the IUPAC name of 5-(2-diphenylphosphorylethylamino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(2-diphenylphosphorylethylamino)-3-methyl-5-oxopentanoic acid (CID 166393763) is 5-(2-diphenylphosphorylethylamino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-diphenylphosphorylethylamino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2-diphenylphosphorylethylamino)-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NCCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(2-diphenylphosphorylethylamino)-3-methyl-5-oxopentanoic acid?
The InChIKey is XOITXSFAMOMKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24NO4P/c1-16(15-20(23)24)14-19(22)21-12-13-26(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 5-(2-diphenylphosphorylethylamino)-3-methyl-5-oxopentanoic acid?
5-(2-diphenylphosphorylethylamino)-3-methyl-5-oxopentanoic acid has a molecular weight of 373.39 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-diphenylphosphorylethylamino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 166393763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).