2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-amino-3-methylbutanoate

C25H29BrNO2P — CID 134977184

IUPAC2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-amino-3-methylbutanoate
SMILESCC(C)[C@H](N)C(=O)OCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29BrNO2P/c1-20(2)24(27)25(28)29-18-19-30(26,21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24H,18-19,27H2,1-2H3/t24-/m0/s1
InChIKeyWACRTTSRVXCAAH-DEOSSOPVSA-N
MW486.39 g/mol
LogP4.35
Rot. Bonds8

About 2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-amino-3-methylbutanoate

2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-amino-3-methylbutanoate (PubChem CID 134977184) has the molecular formula C25H29BrNO2P and a molecular weight of 486.39 g/mol. Its IUPAC name is 2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-amino-3-methylbutanoate.

Molecular Properties

Compound Name2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-amino-3-methylbutanoate
PubChem CID134977184
Molecular FormulaC25H29BrNO2P
Molecular Weight486.39 g/mol
Exact Mass485.11
IUPAC Name2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-amino-3-methylbutanoate
SMILESCC(C)[C@H](N)C(=O)OCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29BrNO2P/c1-20(2)24(27)25(28)29-18-19-30(26,21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24H,18-19,27H2,1-2H3/t24-/m0/s1
InChIKeyWACRTTSRVXCAAH-DEOSSOPVSA-N
XLogP4.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethylbutyl (2S)-2-[[(2,3,4,5,6-pentafluorophenyl)-phenylphosphoryl]amino]propanoate
CID 176087824
Ethyl 4-(diphenylphosphoryl)isovalinate
CID 3738247
(2R)-2-amino-3-ethoxy-3-oxopropane-1-thiolate;chloropalladium(1+);triphenylphosphane
CID 11827775
methyl (2S)-2-(diphenylphosphanylamino)propanoate
CID 101151632
2-[bromo(triphenyl)-lambda5-phosphanyl]ethyl (2S)-2-aminopropanoate
CID 134976921
2-[bromo(triphenyl)-lambda5-phosphanyl]ethyl (2S)-2-amino-4-methylpentanoate
CID 134977185
2-(bromo-methyl-diphenyl-lambda5-phosphanyl)ethyl (2S)-2-amino-4-methylpentanoate
CID 134977831
2-(bromo-methyl-diphenyl-lambda5-phosphanyl)ethyl (2S,3S)-2-amino-3-methylpentanoate
CID 134978010
2-(bromo-methyl-diphenyl-lambda5-phosphanyl)ethyl (2S)-2-amino-3-phenylpropanoate
CID 134978011
2-[(2S)-2-aminopropanoyl]oxyethyl-triphenylphosphanium bromide
CID 176444251
2-[(2S)-2-amino-3-methylbutanoyl]oxyethyl-triphenylphosphanium bromide
CID 176444253
2-[(2S)-2-amino-4-methylpentanoyl]oxyethyl-triphenylphosphanium bromide
CID 176444255

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-amino-3-methylbutanoate?
The IUPAC name of 2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-amino-3-methylbutanoate (CID 134977184) is 2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-amino-3-methylbutanoate.
What is the SMILES notation for 2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-amino-3-methylbutanoate?
The canonical SMILES for 2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-amino-3-methylbutanoate is CC(C)[C@H](N)C(=O)OCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-amino-3-methylbutanoate?
The InChIKey is WACRTTSRVXCAAH-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H29BrNO2P/c1-20(2)24(27)25(28)29-18-19-30(26,21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24H,18-19,27H2,1-2H3/t24-/m0/s1.
What are the key properties of 2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-amino-3-methylbutanoate?
2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-amino-3-methylbutanoate has a molecular weight of 486.39 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-amino-3-methylbutanoate is sourced from PubChem (CID 134977184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).