(2R,3R)-3-(2-phosphonoacetyl)piperidine-2-carboxylic acid

C8H14NO6P — CID 15030797

IUPAC(2R,3R)-3-(2-phosphonoacetyl)piperidine-2-carboxylic acid
SMILESO=C(CP(=O)(O)O)[C@@H]1CCCN[C@H]1C(=O)O
InChIInChI=1S/C8H14NO6P/c10-6(4-16(13,14)15)5-2-1-3-9-7(5)8(11)12/h5,7,9H,1-4H2,(H,11,12)(H2,13,14,15)/t5-,7+/m0/s1
InChIKeyYEEABICQMLEYCN-CAHLUQPWSA-N
MW251.17 g/mol
LogP-0.81
Rot. Bonds4

About (2R,3R)-3-(2-phosphonoacetyl)piperidine-2-carboxylic acid

(2R,3R)-3-(2-phosphonoacetyl)piperidine-2-carboxylic acid (PubChem CID 15030797) has the molecular formula C8H14NO6P and a molecular weight of 251.17 g/mol. Its IUPAC name is (2R,3R)-3-(2-phosphonoacetyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-3-(2-phosphonoacetyl)piperidine-2-carboxylic acid
PubChem CID15030797
Molecular FormulaC8H14NO6P
Molecular Weight251.17 g/mol
Exact Mass251.06
IUPAC Name(2R,3R)-3-(2-phosphonoacetyl)piperidine-2-carboxylic acid
SMILESO=C(CP(=O)(O)O)[C@@H]1CCCN[C@H]1C(=O)O
InChIInChI=1S/C8H14NO6P/c10-6(4-16(13,14)15)5-2-1-3-9-7(5)8(11)12/h5,7,9H,1-4H2,(H,11,12)(H2,13,14,15)/t5-,7+/m0/s1
InChIKeyYEEABICQMLEYCN-CAHLUQPWSA-N
XLogP-0.81
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
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 (2R,3R)-3-(2-phosphonoacetyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R,3R)-3-(2-phosphonoacetyl)piperidine-2-carboxylic acid (CID 15030797) is (2R,3R)-3-(2-phosphonoacetyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R,3R)-3-(2-phosphonoacetyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R,3R)-3-(2-phosphonoacetyl)piperidine-2-carboxylic acid is O=C(CP(=O)(O)O)[C@@H]1CCCN[C@H]1C(=O)O.
What is the InChIKey of (2R,3R)-3-(2-phosphonoacetyl)piperidine-2-carboxylic acid?
The InChIKey is YEEABICQMLEYCN-CAHLUQPWSA-N. The full InChI is InChI=1S/C8H14NO6P/c10-6(4-16(13,14)15)5-2-1-3-9-7(5)8(11)12/h5,7,9H,1-4H2,(H,11,12)(H2,13,14,15)/t5-,7+/m0/s1.
What are the key properties of (2R,3R)-3-(2-phosphonoacetyl)piperidine-2-carboxylic acid?
(2R,3R)-3-(2-phosphonoacetyl)piperidine-2-carboxylic acid has a molecular weight of 251.17 g/mol, XLogP of -0.81, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(2-phosphonoacetyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 15030797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).