(8-amino-5-carboxy-4-hydroxy-8-oxo-1-phenyloctan-4-yl)-oxophosphanium

C15H21NO5P+ — CID 154066843

IUPAC(8-amino-5-carboxy-4-hydroxy-8-oxo-1-phenyloctan-4-yl)-oxophosphanium
SMILESNC(=O)CCC(C(=O)O)C(O)(CCCc1ccccc1)[PH+]=O
InChIInChI=1S/C15H20NO5P/c16-13(17)9-8-12(14(18)19)15(20,22-21)10-4-7-11-5-2-1-3-6-11/h1-3,5-6,12,20H,4,7-10H2,(H2,16,17)(H,18,19)/p+1
InChIKeyZAVOBEAEKSZKTC-UHFFFAOYSA-O
MW326.31 g/mol
LogP1.69
Rot. Bonds10

About (8-amino-5-carboxy-4-hydroxy-8-oxo-1-phenyloctan-4-yl)-oxophosphanium

(8-amino-5-carboxy-4-hydroxy-8-oxo-1-phenyloctan-4-yl)-oxophosphanium (PubChem CID 154066843) has the molecular formula C15H21NO5P+ and a molecular weight of 326.31 g/mol. Its IUPAC name is (8-amino-5-carboxy-4-hydroxy-8-oxo-1-phenyloctan-4-yl)-oxophosphanium.

Molecular Properties

Compound Name(8-amino-5-carboxy-4-hydroxy-8-oxo-1-phenyloctan-4-yl)-oxophosphanium
PubChem CID154066843
Molecular FormulaC15H21NO5P+
Molecular Weight326.31 g/mol
Exact Mass326.12
IUPAC Name(8-amino-5-carboxy-4-hydroxy-8-oxo-1-phenyloctan-4-yl)-oxophosphanium
SMILESNC(=O)CCC(C(=O)O)C(O)(CCCc1ccccc1)[PH+]=O
InChIInChI=1S/C15H20NO5P/c16-13(17)9-8-12(14(18)19)15(20,22-21)10-4-7-11-5-2-1-3-6-11/h1-3,5-6,12,20H,4,7-10H2,(H2,16,17)(H,18,19)/p+1
InChIKeyZAVOBEAEKSZKTC-UHFFFAOYSA-O
XLogP1.69
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[6-amino-3-carboxy-2-hydroxy-6-oxo-1-(3-phenylphenyl)hexan-2-yl]-oxophosphanium
CID 154067774
[6-amino-1-(4-tert-butylphenyl)-3-carboxy-2-hydroxy-6-oxohexan-2-yl]-oxophosphanium
CID 154067772
(2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid
CID 70212067
carbonic acid;3-phenylpropanamide
CID 174965682
5-methylhexan-2-one;4-phenylbutanamide
CID 166139456
2-hydroxy-2-(3-phenylpropyl)propanedioic acid
CID 121011263
carbanide;3-phenylpropanamide;yttrium
CID 160557542
(2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid
CID 67573864
3-ethyl-2-methyl-6-phenylhexan-3-ol
CID 65146545
2,6-diaminohexanoic acid;3-phenylpropanamide
CID 174839218
(2S)-2-amino-3-(2-phenylethyl)butanedioic acid
CID 58900334
2,2-dihydroxy-22-phenyldocosanoic acid
CID 54471325

Frequently Asked Questions

What is the IUPAC name of (8-amino-5-carboxy-4-hydroxy-8-oxo-1-phenyloctan-4-yl)-oxophosphanium?
The IUPAC name of (8-amino-5-carboxy-4-hydroxy-8-oxo-1-phenyloctan-4-yl)-oxophosphanium (CID 154066843) is (8-amino-5-carboxy-4-hydroxy-8-oxo-1-phenyloctan-4-yl)-oxophosphanium.
What is the SMILES notation for (8-amino-5-carboxy-4-hydroxy-8-oxo-1-phenyloctan-4-yl)-oxophosphanium?
The canonical SMILES for (8-amino-5-carboxy-4-hydroxy-8-oxo-1-phenyloctan-4-yl)-oxophosphanium is NC(=O)CCC(C(=O)O)C(O)(CCCc1ccccc1)[PH+]=O.
What is the InChIKey of (8-amino-5-carboxy-4-hydroxy-8-oxo-1-phenyloctan-4-yl)-oxophosphanium?
The InChIKey is ZAVOBEAEKSZKTC-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20NO5P/c16-13(17)9-8-12(14(18)19)15(20,22-21)10-4-7-11-5-2-1-3-6-11/h1-3,5-6,12,20H,4,7-10H2,(H2,16,17)(H,18,19)/p+1.
What are the key properties of (8-amino-5-carboxy-4-hydroxy-8-oxo-1-phenyloctan-4-yl)-oxophosphanium?
(8-amino-5-carboxy-4-hydroxy-8-oxo-1-phenyloctan-4-yl)-oxophosphanium has a molecular weight of 326.31 g/mol, XLogP of 1.69, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-amino-5-carboxy-4-hydroxy-8-oxo-1-phenyloctan-4-yl)-oxophosphanium is sourced from PubChem (CID 154066843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).