1-[(2R,5R)-5-[(3-carboxyphenyl)methyl]morpholin-2-yl]pentyl-hydroxy-oxophosphanium

C17H25NO5P+ — CID 67676919

IUPAC1-[(2R,5R)-5-[(3-carboxyphenyl)methyl]morpholin-2-yl]pentyl-hydroxy-oxophosphanium
SMILESCCCCC([C@H]1CN[C@H](Cc2cccc(C(=O)O)c2)CO1)[P+](=O)O
InChIInChI=1S/C17H24NO5P/c1-2-3-7-16(24(21)22)15-10-18-14(11-23-15)9-12-5-4-6-13(8-12)17(19)20/h4-6,8,14-16,18H,2-3,7,9-11H2,1H3,(H-,19,20,21,22)/p+1/t14-,15-,16?/m1/s1
InChIKeyRDFPAHLRAIUVDF-YGFGXBMJSA-O
MW354.36 g/mol
LogP2.58
Rot. Bonds8

About 1-[(2R,5R)-5-[(3-carboxyphenyl)methyl]morpholin-2-yl]pentyl-hydroxy-oxophosphanium

1-[(2R,5R)-5-[(3-carboxyphenyl)methyl]morpholin-2-yl]pentyl-hydroxy-oxophosphanium (PubChem CID 67676919) has the molecular formula C17H25NO5P+ and a molecular weight of 354.36 g/mol. Its IUPAC name is 1-[(2R,5R)-5-[(3-carboxyphenyl)methyl]morpholin-2-yl]pentyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name1-[(2R,5R)-5-[(3-carboxyphenyl)methyl]morpholin-2-yl]pentyl-hydroxy-oxophosphanium
PubChem CID67676919
Molecular FormulaC17H25NO5P+
Molecular Weight354.36 g/mol
Exact Mass354.15
IUPAC Name1-[(2R,5R)-5-[(3-carboxyphenyl)methyl]morpholin-2-yl]pentyl-hydroxy-oxophosphanium
SMILESCCCCC([C@H]1CN[C@H](Cc2cccc(C(=O)O)c2)CO1)[P+](=O)O
InChIInChI=1S/C17H24NO5P/c1-2-3-7-16(24(21)22)15-10-18-14(11-23-15)9-12-5-4-6-13(8-12)17(19)20/h4-6,8,14-16,18H,2-3,7,9-11H2,1H3,(H-,19,20,21,22)/p+1/t14-,15-,16?/m1/s1
InChIKeyRDFPAHLRAIUVDF-YGFGXBMJSA-O
XLogP2.58
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-5-[(3-carboxyphenyl)methyl]morpholin-2-yl]pentyl-hydroxy-oxophosphanium?
The IUPAC name of 1-[(2R,5R)-5-[(3-carboxyphenyl)methyl]morpholin-2-yl]pentyl-hydroxy-oxophosphanium (CID 67676919) is 1-[(2R,5R)-5-[(3-carboxyphenyl)methyl]morpholin-2-yl]pentyl-hydroxy-oxophosphanium.
What is the SMILES notation for 1-[(2R,5R)-5-[(3-carboxyphenyl)methyl]morpholin-2-yl]pentyl-hydroxy-oxophosphanium?
The canonical SMILES for 1-[(2R,5R)-5-[(3-carboxyphenyl)methyl]morpholin-2-yl]pentyl-hydroxy-oxophosphanium is CCCCC([C@H]1CN[C@H](Cc2cccc(C(=O)O)c2)CO1)[P+](=O)O.
What is the InChIKey of 1-[(2R,5R)-5-[(3-carboxyphenyl)methyl]morpholin-2-yl]pentyl-hydroxy-oxophosphanium?
The InChIKey is RDFPAHLRAIUVDF-YGFGXBMJSA-O. The full InChI is InChI=1S/C17H24NO5P/c1-2-3-7-16(24(21)22)15-10-18-14(11-23-15)9-12-5-4-6-13(8-12)17(19)20/h4-6,8,14-16,18H,2-3,7,9-11H2,1H3,(H-,19,20,21,22)/p+1/t14-,15-,16?/m1/s1.
What are the key properties of 1-[(2R,5R)-5-[(3-carboxyphenyl)methyl]morpholin-2-yl]pentyl-hydroxy-oxophosphanium?
1-[(2R,5R)-5-[(3-carboxyphenyl)methyl]morpholin-2-yl]pentyl-hydroxy-oxophosphanium has a molecular weight of 354.36 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-5-[(3-carboxyphenyl)methyl]morpholin-2-yl]pentyl-hydroxy-oxophosphanium is sourced from PubChem (CID 67676919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).