2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-aminopropanoate

C23H25BrNO2P — CID 134976921

IUPAC2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25BrNO2P/c1-19(25)23(26)27-17-18-28(24,20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19H,17-18,25H2,1H3/t19-/m0/s1
InChIKeyJCNPGCQQRYFXMM-IBGZPJMESA-N
MW458.34 g/mol
LogP3.72
Rot. Bonds7

About 2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-aminopropanoate

2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-aminopropanoate (PubChem CID 134976921) has the molecular formula C23H25BrNO2P and a molecular weight of 458.34 g/mol. Its IUPAC name is 2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-aminopropanoate.

Molecular Properties

Compound Name2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-aminopropanoate
PubChem CID134976921
Molecular FormulaC23H25BrNO2P
Molecular Weight458.34 g/mol
Exact Mass457.08
IUPAC Name2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25BrNO2P/c1-19(25)23(26)27-17-18-28(24,20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19H,17-18,25H2,1H3/t19-/m0/s1
InChIKeyJCNPGCQQRYFXMM-IBGZPJMESA-N
XLogP3.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-aminopropanoate?
The IUPAC name of 2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-aminopropanoate (CID 134976921) is 2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-aminopropanoate.
What is the SMILES notation for 2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-aminopropanoate?
The canonical SMILES for 2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-aminopropanoate is C[C@H](N)C(=O)OCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-aminopropanoate?
The InChIKey is JCNPGCQQRYFXMM-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25BrNO2P/c1-19(25)23(26)27-17-18-28(24,20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19H,17-18,25H2,1H3/t19-/m0/s1.
What are the key properties of 2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-aminopropanoate?
2-[bromo(triphenyl)-λ5-phosphanyl]ethyl (2S)-2-aminopropanoate has a molecular weight of 458.34 g/mol, XLogP of 3.72, 7 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-aminopropanoate is sourced from PubChem (CID 134976921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).