[2-(2-carboxy-1-phenylmethoxycarbonylpiperidin-3-yl)-2-oxoethyl]-trihydroxyphosphanium

C16H21NO8P+ — CID 57025836

IUPAC[2-(2-carboxy-1-phenylmethoxycarbonylpiperidin-3-yl)-2-oxoethyl]-trihydroxyphosphanium
SMILESO=C(C[P+](O)(O)O)C1CCCN(C(=O)OCc2ccccc2)C1C(=O)O
InChIInChI=1S/C16H20NO8P/c18-13(10-26(22,23)24)12-7-4-8-17(14(12)15(19)20)16(21)25-9-11-5-2-1-3-6-11/h1-3,5-6,12,14,22-24H,4,7-10H2/p+1
InChIKeyDYKDOZPTIKTNKH-UHFFFAOYSA-O
MW386.32 g/mol
LogP0.80
Rot. Bonds6

About [2-(2-carboxy-1-phenylmethoxycarbonylpiperidin-3-yl)-2-oxoethyl]-trihydroxyphosphanium

[2-(2-carboxy-1-phenylmethoxycarbonylpiperidin-3-yl)-2-oxoethyl]-trihydroxyphosphanium (PubChem CID 57025836) has the molecular formula C16H21NO8P+ and a molecular weight of 386.32 g/mol. Its IUPAC name is [2-(2-carboxy-1-phenylmethoxycarbonylpiperidin-3-yl)-2-oxoethyl]-trihydroxyphosphanium.

Molecular Properties

Compound Name[2-(2-carboxy-1-phenylmethoxycarbonylpiperidin-3-yl)-2-oxoethyl]-trihydroxyphosphanium
PubChem CID57025836
Molecular FormulaC16H21NO8P+
Molecular Weight386.32 g/mol
Exact Mass386.10
IUPAC Name[2-(2-carboxy-1-phenylmethoxycarbonylpiperidin-3-yl)-2-oxoethyl]-trihydroxyphosphanium
SMILESO=C(C[P+](O)(O)O)C1CCCN(C(=O)OCc2ccccc2)C1C(=O)O
InChIInChI=1S/C16H20NO8P/c18-13(10-26(22,23)24)12-7-4-8-17(14(12)15(19)20)16(21)25-9-11-5-2-1-3-6-11/h1-3,5-6,12,14,22-24H,4,7-10H2/p+1
InChIKeyDYKDOZPTIKTNKH-UHFFFAOYSA-O
XLogP0.80
TPSA144.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 66624873
(2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 58051374
benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 101038867
benzyl 2-(2-bromoacetyl)-3-methylpiperidine-1-carboxylate
CID 107072731
benzyl 2,4-dimethylazepane-1-carboxylate
CID 118248110
(2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 102266655
benzyl 2-(2-amino-1-hydroxyethyl)azepane-1-carboxylate
CID 115006824
1-O-benzyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 169448826
dibenzyl (2S)-3-hydroxypyrrolidine-1,2-dicarboxylate;hydrochloride
CID 18346184
benzyl 2-(1,3-dihydroxypropyl)pyrrolidine-1-carboxylate
CID 68745520
benzyl 2-(oxiran-2-yl)pyrrolidine-1-carboxylate
CID 21051103
tribenzyl (2S,3R)-pyrrolidine-1,2,3-tricarboxylate
CID 10648165

Frequently Asked Questions

What is the IUPAC name of [2-(2-carboxy-1-phenylmethoxycarbonylpiperidin-3-yl)-2-oxoethyl]-trihydroxyphosphanium?
The IUPAC name of [2-(2-carboxy-1-phenylmethoxycarbonylpiperidin-3-yl)-2-oxoethyl]-trihydroxyphosphanium (CID 57025836) is [2-(2-carboxy-1-phenylmethoxycarbonylpiperidin-3-yl)-2-oxoethyl]-trihydroxyphosphanium.
What is the SMILES notation for [2-(2-carboxy-1-phenylmethoxycarbonylpiperidin-3-yl)-2-oxoethyl]-trihydroxyphosphanium?
The canonical SMILES for [2-(2-carboxy-1-phenylmethoxycarbonylpiperidin-3-yl)-2-oxoethyl]-trihydroxyphosphanium is O=C(C[P+](O)(O)O)C1CCCN(C(=O)OCc2ccccc2)C1C(=O)O.
What is the InChIKey of [2-(2-carboxy-1-phenylmethoxycarbonylpiperidin-3-yl)-2-oxoethyl]-trihydroxyphosphanium?
The InChIKey is DYKDOZPTIKTNKH-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20NO8P/c18-13(10-26(22,23)24)12-7-4-8-17(14(12)15(19)20)16(21)25-9-11-5-2-1-3-6-11/h1-3,5-6,12,14,22-24H,4,7-10H2/p+1.
What are the key properties of [2-(2-carboxy-1-phenylmethoxycarbonylpiperidin-3-yl)-2-oxoethyl]-trihydroxyphosphanium?
[2-(2-carboxy-1-phenylmethoxycarbonylpiperidin-3-yl)-2-oxoethyl]-trihydroxyphosphanium has a molecular weight of 386.32 g/mol, XLogP of 0.80, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-carboxy-1-phenylmethoxycarbonylpiperidin-3-yl)-2-oxoethyl]-trihydroxyphosphanium is sourced from PubChem (CID 57025836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).