(2S,4R,6S)-6-methyl-4-(phosphonomethyl)piperidine-2-carboxylic acid

C8H16NO5P — CID 14850747

IUPAC(2S,4R,6S)-6-methyl-4-(phosphonomethyl)piperidine-2-carboxylic acid
SMILESC[C@H]1C[C@@H](CP(=O)(O)O)C[C@@H](C(=O)O)N1
InChIInChI=1S/C8H16NO5P/c1-5-2-6(4-15(12,13)14)3-7(9-5)8(10)11/h5-7,9H,2-4H2,1H3,(H,10,11)(H2,12,13,14)/t5-,6+,7-/m0/s1
InChIKeyBYXPJIAFWROAPG-XVMARJQXSA-N
MW237.19 g/mol
LogP0.01
Rot. Bonds3

About (2S,4R,6S)-6-methyl-4-(phosphonomethyl)piperidine-2-carboxylic acid

(2S,4R,6S)-6-methyl-4-(phosphonomethyl)piperidine-2-carboxylic acid (PubChem CID 14850747) has the molecular formula C8H16NO5P and a molecular weight of 237.19 g/mol. Its IUPAC name is (2S,4R,6S)-6-methyl-4-(phosphonomethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R,6S)-6-methyl-4-(phosphonomethyl)piperidine-2-carboxylic acid
PubChem CID14850747
Molecular FormulaC8H16NO5P
Molecular Weight237.19 g/mol
Exact Mass237.08
IUPAC Name(2S,4R,6S)-6-methyl-4-(phosphonomethyl)piperidine-2-carboxylic acid
SMILESC[C@H]1C[C@@H](CP(=O)(O)O)C[C@@H](C(=O)O)N1
InChIInChI=1S/C8H16NO5P/c1-5-2-6(4-15(12,13)14)3-7(9-5)8(10)11/h5-7,9H,2-4H2,1H3,(H,10,11)(H2,12,13,14)/t5-,6+,7-/m0/s1
InChIKeyBYXPJIAFWROAPG-XVMARJQXSA-N
XLogP0.01
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Selfotel
CID 68736
4-(Phosphonomethyl)piperidine-2-carboxylic acid
CID 4324257
Selfotel, (-)-
CID 6604838
(2R,4S)-4-(3-phosphonopropyl)-2-piperidinecarboxylic acid
CID 10422256
(2R,4R)-4-(phosphonomethyl)piperidine-2-carboxylic acid
CID 14541446
(2R,4S)-4-(1-phosphonoethyl)piperidine-2-carboxylic acid
CID 14850729
CID 21126371
CID 21126371
(2S,3S)-3-(2-phosphonoethyl)piperidine-2-carboxylic acid
CID 44284617
(2R,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid
CID 14850720
(2R,4R,5R)-5-methyl-4-(phosphonomethyl)piperidine-2-carboxylic acid
CID 14850740
(2S,4S)-4-(1-phosphonoethyl)piperidine-2-carboxylic acid
CID 44277815
(2S,4S,5S)-5-methyl-4-(phosphonomethyl)piperidine-2-carboxylic acid
CID 44284665

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6S)-6-methyl-4-(phosphonomethyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S,4R,6S)-6-methyl-4-(phosphonomethyl)piperidine-2-carboxylic acid (CID 14850747) is (2S,4R,6S)-6-methyl-4-(phosphonomethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R,6S)-6-methyl-4-(phosphonomethyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S,4R,6S)-6-methyl-4-(phosphonomethyl)piperidine-2-carboxylic acid is C[C@H]1C[C@@H](CP(=O)(O)O)C[C@@H](C(=O)O)N1.
What is the InChIKey of (2S,4R,6S)-6-methyl-4-(phosphonomethyl)piperidine-2-carboxylic acid?
The InChIKey is BYXPJIAFWROAPG-XVMARJQXSA-N. The full InChI is InChI=1S/C8H16NO5P/c1-5-2-6(4-15(12,13)14)3-7(9-5)8(10)11/h5-7,9H,2-4H2,1H3,(H,10,11)(H2,12,13,14)/t5-,6+,7-/m0/s1.
What are the key properties of (2S,4R,6S)-6-methyl-4-(phosphonomethyl)piperidine-2-carboxylic acid?
(2S,4R,6S)-6-methyl-4-(phosphonomethyl)piperidine-2-carboxylic acid has a molecular weight of 237.19 g/mol, XLogP of 0.01, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6S)-6-methyl-4-(phosphonomethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 14850747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).