(2R,4R)-4-(phosphonomethyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

C11H14NO5P — CID 14850776

IUPAC(2R,4R)-4-(phosphonomethyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](CP(=O)(O)O)c2ccccc2N1
InChIInChI=1S/C11H14NO5P/c13-11(14)10-5-7(6-18(15,16)17)8-3-1-2-4-9(8)12-10/h1-4,7,10,12H,5-6H2,(H,13,14)(H2,15,16,17)/t7-,10+/m0/s1
InChIKeyVLRPFYXFLFOGEK-OIBJUYFYSA-N
MW271.21 g/mol
LogP1.22
Rot. Bonds3

About (2R,4R)-4-(phosphonomethyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

(2R,4R)-4-(phosphonomethyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 14850776) has the molecular formula C11H14NO5P and a molecular weight of 271.21 g/mol. Its IUPAC name is (2R,4R)-4-(phosphonomethyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-(phosphonomethyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
PubChem CID14850776
Molecular FormulaC11H14NO5P
Molecular Weight271.21 g/mol
Exact Mass271.06
IUPAC Name(2R,4R)-4-(phosphonomethyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](CP(=O)(O)O)c2ccccc2N1
InChIInChI=1S/C11H14NO5P/c13-11(14)10-5-7(6-18(15,16)17)8-3-1-2-4-9(8)12-10/h1-4,7,10,12H,5-6H2,(H,13,14)(H2,15,16,17)/t7-,10+/m0/s1
InChIKeyVLRPFYXFLFOGEK-OIBJUYFYSA-N
XLogP1.22
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(phosphonomethyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-(phosphonomethyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 14850776) is (2R,4R)-4-(phosphonomethyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-(phosphonomethyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-(phosphonomethyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](CP(=O)(O)O)c2ccccc2N1.
What is the InChIKey of (2R,4R)-4-(phosphonomethyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The InChIKey is VLRPFYXFLFOGEK-OIBJUYFYSA-N. The full InChI is InChI=1S/C11H14NO5P/c13-11(14)10-5-7(6-18(15,16)17)8-3-1-2-4-9(8)12-10/h1-4,7,10,12H,5-6H2,(H,13,14)(H2,15,16,17)/t7-,10+/m0/s1.
What are the key properties of (2R,4R)-4-(phosphonomethyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
(2R,4R)-4-(phosphonomethyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 271.21 g/mol, XLogP of 1.22, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(phosphonomethyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 14850776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).