2-[2-[chloro(triphenyl)-λ5-phosphanyl]ethoxycarbonylamino]propanoic acid

C24H25ClNO4P — CID 134886024

IUPAC2-[2-[chloro(triphenyl)-λ5-phosphanyl]ethoxycarbonylamino]propanoic acid
SMILESCC(NC(=O)OCCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C24H25ClNO4P/c1-19(23(27)28)26-24(29)30-17-18-31(25,20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3,(H,26,29)(H,27,28)
InChIKeyNZNQAYXWDAFOCZ-UHFFFAOYSA-N
MW457.89 g/mol
LogP3.87
Rot. Bonds8

About 2-[2-[chloro(triphenyl)-λ5-phosphanyl]ethoxycarbonylamino]propanoic acid

2-[2-[chloro(triphenyl)-λ5-phosphanyl]ethoxycarbonylamino]propanoic acid (PubChem CID 134886024) has the molecular formula C24H25ClNO4P and a molecular weight of 457.89 g/mol. Its IUPAC name is 2-[2-[chloro(triphenyl)-λ5-phosphanyl]ethoxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-[chloro(triphenyl)-λ5-phosphanyl]ethoxycarbonylamino]propanoic acid
PubChem CID134886024
Molecular FormulaC24H25ClNO4P
Molecular Weight457.89 g/mol
Exact Mass457.12
IUPAC Name2-[2-[chloro(triphenyl)-λ5-phosphanyl]ethoxycarbonylamino]propanoic acid
SMILESCC(NC(=O)OCCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C24H25ClNO4P/c1-19(23(27)28)26-24(29)30-17-18-31(25,20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3,(H,26,29)(H,27,28)
InChIKeyNZNQAYXWDAFOCZ-UHFFFAOYSA-N
XLogP3.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.89
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[chloro(triphenyl)-λ5-phosphanyl]ethoxycarbonylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[chloro(triphenyl)-λ5-phosphanyl]ethoxycarbonylamino]propanoic acid?
The IUPAC name of 2-[2-[chloro(triphenyl)-λ5-phosphanyl]ethoxycarbonylamino]propanoic acid (CID 134886024) is 2-[2-[chloro(triphenyl)-λ5-phosphanyl]ethoxycarbonylamino]propanoic acid.
What is the SMILES notation for 2-[2-[chloro(triphenyl)-λ5-phosphanyl]ethoxycarbonylamino]propanoic acid?
The canonical SMILES for 2-[2-[chloro(triphenyl)-λ5-phosphanyl]ethoxycarbonylamino]propanoic acid is CC(NC(=O)OCCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[2-[chloro(triphenyl)-λ5-phosphanyl]ethoxycarbonylamino]propanoic acid?
The InChIKey is NZNQAYXWDAFOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClNO4P/c1-19(23(27)28)26-24(29)30-17-18-31(25,20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 2-[2-[chloro(triphenyl)-λ5-phosphanyl]ethoxycarbonylamino]propanoic acid?
2-[2-[chloro(triphenyl)-λ5-phosphanyl]ethoxycarbonylamino]propanoic acid has a molecular weight of 457.89 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[chloro(triphenyl)-λ5-phosphanyl]ethoxycarbonylamino]propanoic acid is sourced from PubChem (CID 134886024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).