(2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-methylpiperidine-2-carboxylic acid

C9H16N2O4 — CID 14805156

IUPAC(2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-methylpiperidine-2-carboxylic acid
SMILESCC(=O)N[C@H]1[C@H](C)N[C@H](C(=O)O)C[C@@H]1O
InChIInChI=1S/C9H16N2O4/c1-4-8(11-5(2)12)7(13)3-6(10-4)9(14)15/h4,6-8,10,13H,3H2,1-2H3,(H,11,12)(H,14,15)/t4-,6-,7-,8-/m0/s1
InChIKeySVRDZNAHFISLRM-PSQAKQOGSA-N
MW216.24 g/mol
LogP-1.31
Rot. Bonds2

About (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-methylpiperidine-2-carboxylic acid

(2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-methylpiperidine-2-carboxylic acid (PubChem CID 14805156) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-methylpiperidine-2-carboxylic acid
PubChem CID14805156
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-methylpiperidine-2-carboxylic acid
SMILESCC(=O)N[C@H]1[C@H](C)N[C@H](C(=O)O)C[C@@H]1O
InChIInChI=1S/C9H16N2O4/c1-4-8(11-5(2)12)7(13)3-6(10-4)9(14)15/h4,6-8,10,13H,3H2,1-2H3,(H,11,12)(H,14,15)/t4-,6-,7-,8-/m0/s1
InChIKeySVRDZNAHFISLRM-PSQAKQOGSA-N
XLogP-1.31
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-methylpiperidine-2-carboxylic acid?
The IUPAC name of (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-methylpiperidine-2-carboxylic acid (CID 14805156) is (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-methylpiperidine-2-carboxylic acid?
The canonical SMILES for (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-methylpiperidine-2-carboxylic acid is CC(=O)N[C@H]1[C@H](C)N[C@H](C(=O)O)C[C@@H]1O.
What is the InChIKey of (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-methylpiperidine-2-carboxylic acid?
The InChIKey is SVRDZNAHFISLRM-PSQAKQOGSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-4-8(11-5(2)12)7(13)3-6(10-4)9(14)15/h4,6-8,10,13H,3H2,1-2H3,(H,11,12)(H,14,15)/t4-,6-,7-,8-/m0/s1.
What are the key properties of (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-methylpiperidine-2-carboxylic acid?
(2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-methylpiperidine-2-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of -1.31, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 14805156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).