[1-carboxy-5-(phenylmethoxycarbonylamino)pentoxy]-oxo-phenylmethoxyphosphanium

C21H25NO7P+ — CID 90765384

IUPAC[1-carboxy-5-(phenylmethoxycarbonylamino)pentoxy]-oxo-phenylmethoxyphosphanium
SMILESO=C(NCCCCC(O[P+](=O)OCc1ccccc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C21H24NO7P/c23-20(24)19(29-30(26)28-16-18-11-5-2-6-12-18)13-7-8-14-22-21(25)27-15-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H-,22,23,24,25)/p+1
InChIKeyFQRKPKKJANZQLK-UHFFFAOYSA-O
MW434.41 g/mol
LogP4.43
Rot. Bonds13

About [1-carboxy-5-(phenylmethoxycarbonylamino)pentoxy]-oxo-phenylmethoxyphosphanium

[1-carboxy-5-(phenylmethoxycarbonylamino)pentoxy]-oxo-phenylmethoxyphosphanium (PubChem CID 90765384) has the molecular formula C21H25NO7P+ and a molecular weight of 434.41 g/mol. Its IUPAC name is [1-carboxy-5-(phenylmethoxycarbonylamino)pentoxy]-oxo-phenylmethoxyphosphanium.

Molecular Properties

Compound Name[1-carboxy-5-(phenylmethoxycarbonylamino)pentoxy]-oxo-phenylmethoxyphosphanium
PubChem CID90765384
Molecular FormulaC21H25NO7P+
Molecular Weight434.41 g/mol
Exact Mass434.14
IUPAC Name[1-carboxy-5-(phenylmethoxycarbonylamino)pentoxy]-oxo-phenylmethoxyphosphanium
SMILESO=C(NCCCCC(O[P+](=O)OCc1ccccc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C21H24NO7P/c23-20(24)19(29-30(26)28-16-18-11-5-2-6-12-18)13-7-8-14-22-21(25)27-15-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H-,22,23,24,25)/p+1
InChIKeyFQRKPKKJANZQLK-UHFFFAOYSA-O
XLogP4.43
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67292704
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
bis(2-amino-6-(phenylmethoxycarbonylamino)hexanoic acid);copper
CID 10579765
(2S)-2-amino-7-(phenylmethoxycarbonylamino)heptanoic acid
CID 23561663
benzyl N-(6-methylheptyl)carbamate
CID 59918495
(2R)-2-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid;propane
CID 158989140
hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium
CID 19090886
3-hydroxy-7-(phenylmethoxycarbonylamino)heptanoic acid
CID 15916886
2-formamido-6-(phenylmethoxycarbonylamino)hexanoic acid
CID 13341253
2-[[(1S)-1-carboxy-5-(phenylmethoxycarbonylamino)pentyl]amino]butanedioic acid
CID 159507037
(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67585772

Frequently Asked Questions

What is the IUPAC name of [1-carboxy-5-(phenylmethoxycarbonylamino)pentoxy]-oxo-phenylmethoxyphosphanium?
The IUPAC name of [1-carboxy-5-(phenylmethoxycarbonylamino)pentoxy]-oxo-phenylmethoxyphosphanium (CID 90765384) is [1-carboxy-5-(phenylmethoxycarbonylamino)pentoxy]-oxo-phenylmethoxyphosphanium.
What is the SMILES notation for [1-carboxy-5-(phenylmethoxycarbonylamino)pentoxy]-oxo-phenylmethoxyphosphanium?
The canonical SMILES for [1-carboxy-5-(phenylmethoxycarbonylamino)pentoxy]-oxo-phenylmethoxyphosphanium is O=C(NCCCCC(O[P+](=O)OCc1ccccc1)C(=O)O)OCc1ccccc1.
What is the InChIKey of [1-carboxy-5-(phenylmethoxycarbonylamino)pentoxy]-oxo-phenylmethoxyphosphanium?
The InChIKey is FQRKPKKJANZQLK-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24NO7P/c23-20(24)19(29-30(26)28-16-18-11-5-2-6-12-18)13-7-8-14-22-21(25)27-15-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H-,22,23,24,25)/p+1.
What are the key properties of [1-carboxy-5-(phenylmethoxycarbonylamino)pentoxy]-oxo-phenylmethoxyphosphanium?
[1-carboxy-5-(phenylmethoxycarbonylamino)pentoxy]-oxo-phenylmethoxyphosphanium has a molecular weight of 434.41 g/mol, XLogP of 4.43, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-carboxy-5-(phenylmethoxycarbonylamino)pentoxy]-oxo-phenylmethoxyphosphanium is sourced from PubChem (CID 90765384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).