[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-phenylmethoxyphosphanium

C25H25NO6P+ — CID 102270813

IUPAC[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-phenylmethoxyphosphanium
SMILESO=C(N[C@@H](CO[PH2+]OCc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H24NO6P/c27-24(28)23(16-32-33-31-14-17-8-2-1-3-9-17)26-25(29)30-15-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16,33H2,(H-,26,27,28,29)/p+1/t23-/m0/s1
InChIKeyJBUDTXJKAMZKMP-QHCPKHFHSA-O
MW466.45 g/mol
LogP4.45
Rot. Bonds10

About [(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-phenylmethoxyphosphanium

[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-phenylmethoxyphosphanium (PubChem CID 102270813) has the molecular formula C25H25NO6P+ and a molecular weight of 466.45 g/mol. Its IUPAC name is [(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-phenylmethoxyphosphanium.

Molecular Properties

Compound Name[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-phenylmethoxyphosphanium
PubChem CID102270813
Molecular FormulaC25H25NO6P+
Molecular Weight466.45 g/mol
Exact Mass466.14
IUPAC Name[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-phenylmethoxyphosphanium
SMILESO=C(N[C@@H](CO[PH2+]OCc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H24NO6P/c27-24(28)23(16-32-33-31-14-17-8-2-1-3-9-17)26-25(29)30-15-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16,33H2,(H-,26,27,28,29)/p+1/t23-/m0/s1
InChIKeyJBUDTXJKAMZKMP-QHCPKHFHSA-O
XLogP4.45
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.45
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 67718398
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(pyridin-4-ylmethoxy)propanoic acid
CID 178201529
(2S)-3-acetyloxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 7018824
3-cyclopropyloxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 156691122
(2S)-4-(15N)azanyl-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-4-oxobutanoic acid
CID 71308913
2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 5193992
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid;hydrate
CID 70700086
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phosphonooxypropanoic acid
CID 56845347
3-[3,5-bis(phenylmethoxy)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882239
(2S,7S)-2,7-bis(9H-fluoren-9-ylmethoxycarbonylamino)oct-4-enedioic acid
CID 57135941
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydrazinylpropanoic acid
CID 175987234
benzyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate
CID 66674263

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-phenylmethoxyphosphanium?
The IUPAC name of [(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-phenylmethoxyphosphanium (CID 102270813) is [(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-phenylmethoxyphosphanium.
What is the SMILES notation for [(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-phenylmethoxyphosphanium?
The canonical SMILES for [(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-phenylmethoxyphosphanium is O=C(N[C@@H](CO[PH2+]OCc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of [(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-phenylmethoxyphosphanium?
The InChIKey is JBUDTXJKAMZKMP-QHCPKHFHSA-O. The full InChI is InChI=1S/C25H24NO6P/c27-24(28)23(16-32-33-31-14-17-8-2-1-3-9-17)26-25(29)30-15-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16,33H2,(H-,26,27,28,29)/p+1/t23-/m0/s1.
What are the key properties of [(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-phenylmethoxyphosphanium?
[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-phenylmethoxyphosphanium has a molecular weight of 466.45 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-phenylmethoxyphosphanium is sourced from PubChem (CID 102270813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).